Home > Compound List > Compound details
22430-23-5 molecular structure
click picture or here to close

(3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

ChemBase ID: 104287
Molecular Formular: C6H10O6
Molecular Mass: 178.14
Monoisotopic Mass: 178.04773804
SMILES and InChIs

SMILES:
O=C1O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H]1O
Canonical SMILES:
OC[C@@H]([C@@H]1OC(=O)[C@@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1
InChIKey:
SXZYCXMUPBBULW-KLVWXMOXSA-N

Cite this record

CBID:104287 http://www.chembase.cn/molecule-104287.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
IUPAC Traditional name
(3R,4S,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
Synonyms
L-GULONIC-γ-LACTONE
L-Mannonic acid γ-lactone
L-Mannonic γ-lactone
L-Mannono-1,4-lactone
L-MANNONIC ACID-γ-LACTONE
L-甘露糖酸 γ-内酯
L-甘露糖酸-1,4-内酯
CAS Number
22430-23-5
1128-23-0
MDL Number
MFCD00064332
PubChem SID
24857856
162091437
PubChem CID
1149778

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1149778 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.62354  H Acceptors
H Donor LogD (pH = 5.5) -2.7452736 
LogD (pH = 7.4) -2.745299  Log P -2.745273 
Molar Refractivity 34.7788 cm3 Polarizability 14.633189 Å3
Polar Surface Area 107.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
153-155 °C(lit.) expand Show data source
Optical Rotation
[α]20/D -50.8°, c = 1 in H2O expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
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
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C6H10O6 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203540 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02155337 external link
(L-Mannono-1,4-lactone) Crystalline
Sigma Aldrich - 296384 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle