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28697-53-2 molecular structure
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(4S,5R)-oxane-2,3,4,5-tetrol

ChemBase ID: 160781
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](C(C(OC1)O)O)O)O
Canonical SMILES:
O[C@@H]1COC(C([C@H]1O)O)O
InChI:
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4?,5?/m1/s1
InChIKey:
SRBFZHDQGSBBOR-JAKZDEMDSA-N

Cite this record

CBID:160781 http://www.chembase.cn/molecule-160781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4S,5R)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
(4S,5R)-oxane-2,3,4,5-tetrol
Synonyms
D-Arabinopyranose
D-(-)-Arabinose
D-Arabinose
NSC 224430
D-Lyxose
CAS Number
28697-53-2
1114-34-7
PubChem SID
162254916
PubChem CID
71313478

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71313478 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 11.310624 
H Acceptors H Donor
LogD (pH = 5.5) -2.3022048  LogD (pH = 7.4) -2.3022575 
Log P -2.3022044  Molar Refractivity 29.9609 cm3
Polarizability 12.6405 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
109-112°C expand Show data source
158-160°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A764175 external link
An inhibitor of the enzyme glucose dehydrogenase.

REFERENCES

REFERENCES

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  • • Cozier, G.E. et al.: Biochem. J., 340, 639 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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