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14431-43-7 molecular structure
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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal hydrate

ChemBase ID: 130835
Molecular Formular: C6H14O7
Molecular Mass: 198.17116
Monoisotopic Mass: 198.07395279
SMILES and InChIs

SMILES:
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.O
Canonical SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O.O
InChI:
InChI=1S/C6H12O6.H2O/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H2/t3-,4+,5+,6+;/m0./s1
InChIKey:
SPFMQWBKVUQXJV-BTVCFUMJSA-N

Cite this record

CBID:130835 http://www.chembase.cn/molecule-130835.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal hydrate
IUPAC Traditional name
(+)-glucose hydrate
Synonyms
Dextrose monohydrate
D-(+)-Glucose monohydrate
Dextrosum (Glucosum) monohydricum
Dextrose monohydrate
D-(+)-葡萄糖 一水合物
一水右旋糖(葡萄糖)
D-(+)-葡萄糖 一水合物
右旋糖 一水合物
右旋糖 一水合物
CAS Number
14431-43-7
EC Number
218-914-5
MDL Number
MFCD00149450
Beilstein Number
5250278
PubChem SID
24872666
162225113
24850017
24894307
24872664
PubChem CID
22814120

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22814120 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.800943  H Acceptors
H Donor LogD (pH = 5.5) -3.5683608 
LogD (pH = 7.4) -3.5683777  Log P -3.5683606 
Molar Refractivity 37.3456 cm3 Polarizability 15.251392 Å3
Polar Surface Area 118.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble0.1 g/mL, clear expand Show data source
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Optical Rotation
[α]20/D +49±3°, 3 hr, c = 10% in H2O expand Show data source
[α]20/D +52.5 to +53.3°, c = 10% in H2O (calc. on anhydrous subst.) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.03 expand Show data source
λ: 280 nm Amax: 0.03 expand Show data source
pH
5-7 (25 °C, 1 M in H2O) 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
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (sum of enantiomers, HPLC) expand Show data source
≥99.0% expand Show data source
≥99.0% (sum of enantiomers, HPLC) expand Show data source
≥99.5% (HPLC) expand Show data source
Grade
for biotechnological purposes expand Show data source
for microbiology expand Show data source
Ph Eur expand Show data source
Suitability
meets USP testing specifications expand Show data source
Ignition Residue
≤0.05% (as SO4) expand Show data source
≤0.1% (as SO4) expand Show data source
Impurities
7-9.5% water (Karl Fischer) expand Show data source
insoluble matter, passes filter test expand Show data source
residual solvents, complies expand Show data source
Cation Traces
Al: ≤0.5 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Ba:, in accordance expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤200 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤0.5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤200 mg/kg expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
sulfite (SO32-): ≤10 mg/kg expand Show data source
Quality
meets analytical specification of Ph. Eur., BP, Ph Franç. expand Show data source
λ
1 M in H2O expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C6H12O6 · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 49158 external link
Application
D-(+)-Glucose is a common natural sugar involved in processes such as energy production, glycosylation, and formation of glycans that provide structure to cells. Glucose is involved in a detrimentatl process in cells called glycation. Glucose is used as a supplement for cell culture and in numerous cellular processes.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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