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50-81-7 molecular structure
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(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one

ChemBase ID: 12
Molecular Formular: C6H8O6
Molecular Mass: 176.12412
Monoisotopic Mass: 176.03208798
SMILES and InChIs

SMILES:
O1C(=O)C(=C(O)[C@H]1[C@H](CO)O)O
Canonical SMILES:
OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O
InChI:
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKey:
CIWBSHSKHKDKBQ-JLAZNSOCSA-N

Cite this record

CBID:12 http://www.chembase.cn/molecule-12.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one
IUPAC Traditional name
vitamin C
Brand Name
Adenex
Allercorb
Antiscorbic Vitamin
Antiscorbutic Vitamin
Arco-Cee
Ascoltin
Ascor-B.I.D.
Ascorb
Ascorbajen
Ascorbicab
Ascorbicap
Ascorbicin
Ascorbin
Ascorbutina
Ascorin
Ascorteal
Ascorvit
C-Level
C-Long
C-Quin
C-Span
C-Vimin
Cantan
Cantaxin
Catavin C
Ce Lent
Cebicure
Cebid
Cebion
Cebione
Cecon
Cee-Caps Td
Cee-Vite
Cegiolan
Ceglion
Celaskon
Celin
Cemagyl
Cemill
Cenetone
Cenolate
Cereon
Cergona
Cescorbat
Cetamid
Cetane
Cetane-Caps Tc
Cetane-Caps Td
Cetebe
Cetemican
Cevalin
Cevatine
Cevex
Cevi-Bid
Cevimin
Cevital
Cevitamic Acid
Cevitamin
Cevitan
Cevitex
Cewin
Ciamin
Cipca
Citriscorb
Colascor
Concemin
Davitamon C
Duoscorb
Hicee
Hybrin
IDO-C
Kyselina Askorbova
Laroscorbine
Lemascorb
Liqui-Cee
Meri-C
Natrascorb
Planavit C
Proscorbin
Redoxon
Ribena
Roscorbic
Scorbacid
Scorbu-C
Secorbate
Sodascorbate
Testascorbic
Vicelat
Vicin
Vicomin C
Viforcit
Viscorin
Vitace
Vitacee
Vitacimin
Vitacin
Vitamisin
Vitascorbol
Xitix
Synonyms
AA
Ascorbic Acid
L-Ascorbate
L-Ascorbic Acid
Ascorbate
L-Lyxoascorbic Acid
L-Xyloascorbic Acid
Vitamin C
L-Ascorbic acid
L-Threoascorbic acid
Antiscorbutic factor
Vitamin C
Ascorbic acid
Acidum ascorbicum
(R)-5-((S)-1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one
L-(+)-Ascorbic acid
L-(+)-Ascorbic acid, ACS
L-维生素 C
抗坏血病因子
维生素 C
L-抗坏血酸
L-(+)-抗坏血酸
L-(+)-抗坏血酸, ACS
L-(+)-抗坏血酸维生素C
CAS Number
50-81-7
EC Number
200-066-2
MDL Number
MFCD00064328
Beilstein Number
84272
Merck Index
14830
PubChem SID
24890417
24890107
24855464
24891246
24890649
160963475
24900863
24890105
24891042
24871532
24891432
24890106
24890632
24890635
24890875
24859847
24890857
PubChem CID
54670067
5785
CHEBI ID
29073
ATC CODE
G01AD03
S01XA15
A11GA01
A11G
CHEMBL
196
Chemspider ID
10189562
DrugBank ID
DB00126
FEMA ID
2109
KEGG ID
D00018
Unique Ingredient Identifier
PQ6CK8PD0R
Wikipedia Title
Ascorbic_acid
Vitamin_C
E Number
E300

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.3599176  H Acceptors
H Donor LogD (pH = 5.5) -3.082243 
LogD (pH = 7.4) -4.8322015  Log P -1.9135588 
Molar Refractivity 37.0321 cm3 Polarizability 14.376429 Å3
Polar Surface Area 107.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.58  LOG S 0.14 
Solubility (Water) 2.45e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
10 g/L in glycerol expand Show data source
20 g/L in ethanol expand Show data source
330 g/L in water expand Show data source
40 g/L expand Show data source
50 g/L in propylene glycol expand Show data source
H2O: soluble0.5 M, clear, colorless expand Show data source
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble10 mg/mL expand Show data source
H2O: soluble50 mg/mL at 20 °C, clear, almost colorless expand Show data source
insoluble in diethyl ether, chloroform, benzene, petroleum ether, oils, fats in other solvents expand Show data source
Apperance
powder expand Show data source
Powder expand Show data source
White or light yellow solid expand Show data source
white to off-white crystalline expand Show data source
white to off-white powder expand Show data source
white to slightly yellow crystalline expand Show data source
Melting Point
190 - 192°C (decomp.) expand Show data source
190°C (374°F) expand Show data source
190-193°C dec. expand Show data source
190-194 °C (dec.) expand Show data source
ca 191°C dec. expand Show data source
Boiling Point
553°C (1027.4°F) expand Show data source
Density
1.65 expand Show data source
1.65 g/cm3 expand Show data source
1.694 g/cm3 expand Show data source
Optical Rotation
[α]20/D +20.5 to +21.5°, c = 10% in H2O expand Show data source
[α]20/D +21±0.5°, c = 10% in H2O expand Show data source
[α]25/D +20.5 to +21.5° in H2O expand Show data source
[α]25/D 19.0 to 23.0°, c = 10% in H2O expand Show data source
+21 (c=10 in water) expand Show data source
Hydrophobicity(logP)
-0.5 expand Show data source
pKa
4.10 (first), 11.6 (second) expand Show data source
pH
1.0-2.5 (25 °C, 1 M in H2O) expand Show data source
2.1-2.6 (20 °C, 5%) expand Show data source
2.2-2.5 (25 °C, 50 mg/mL in H2O) expand Show data source
RTECS
CI7650000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
TSCA Listed
expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source
LD50
11.9 g/kg (oral, rat) expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (172.280) expand Show data source
FDA 21 CFR (182.3013) expand Show data source
FDA 21 CFR (182.8013) expand Show data source
Admin Routes
oral expand Show data source
Bioavailability
rapid & complete expand Show data source
Excretion
renal expand Show data source
Half Life
varies according to plasma concentration expand Show data source
Protein Bound
negligible expand Show data source
Legal Status
general public availability expand Show data source
Pregnancy Category
A expand Show data source
Gene Information
human ... SLC23A2(9962) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98% expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (RT) expand Show data source
≥99.5% (RT) expand Show data source
≥99.9998% (metals basis) expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
99.7-100.5% (oxidimetric) expand Show data source
99+% expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
analytical standard expand Show data source
JIS special grade expand Show data source
Ph Eur expand Show data source
puriss. p.a. expand Show data source
reagent grade expand Show data source
TraceSELECT® expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Suitability
cell culture tested expand Show data source
complies for appearance of solution expand Show data source
meets USP testing specifications expand Show data source
passes test for identity (IR) expand Show data source
plant cell culture tested expand Show data source
suitable for cell culture expand Show data source
suitable for plant cell culture expand Show data source
Ignition Residue
<0.1% expand Show data source
≤0.05% (as SO4) expand Show data source
≤0.1% expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.001% heavy metals (as Pb) expand Show data source
≤0.1% Insoluble matter expand Show data source
insoluble matter, passes filter test expand Show data source
related substances, in accordance (HPLC) expand Show data source
Cation Traces
Ag: ≤0.01 mg/kg expand Show data source
Al: ≤0.0005% expand Show data source
Al: ≤0.05 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.005 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
Au: ≤0.01 mg/kg expand Show data source
Ba: ≤0.01 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Be: ≤0.01 mg/kg expand Show data source
Bi: ≤0.01 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤0.1 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤0.01 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Ce: ≤0.01 mg/kg expand Show data source
Co: ≤0.01 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤0.05 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cs: ≤0.01 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤0.01 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Dy: ≤0.01 mg/kg expand Show data source
Er: ≤0.01 mg/kg expand Show data source
Eu: ≤0.01 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤0.1 mg/kg expand Show data source
Fe: ≤2 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Ga: ≤0.01 mg/kg expand Show data source
Gd: ≤0.01 mg/kg expand Show data source
Ge: ≤0.05 mg/kg expand Show data source
heavy metals (as Pb): ≤0.002% expand Show data source
Hf: ≤0.01 mg/kg expand Show data source
Hg: ≤0.01 mg/kg expand Show data source
Ho: ≤0.01 mg/kg expand Show data source
In: ≤0.01 mg/kg expand Show data source
Ir: ≤0.01 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤0.1 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
La: ≤0.01 mg/kg expand Show data source
Li: ≤0.01 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Lu: ≤0.01 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤0.05 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤0.01 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source