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87-72-9 molecular structure
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(2S,3S,4S,5S)-oxane-2,3,4,5-tetrol

ChemBase ID: 289384
Molecular Formular: C5H10O5
Molecular Mass: 150.1299
Monoisotopic Mass: 150.05282342
SMILES and InChIs

SMILES:
O[C@H]1CO[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES:
O[C@H]1CO[C@@H]([C@H]([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-/m0/s1
InChIKey:
SRBFZHDQGSBBOR-FCAWWPLPSA-N

Cite this record

CBID:289384 http://www.chembase.cn/molecule-289384.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S,3S,4S,5S)-oxane-2,3,4,5-tetrol
IUPAC Traditional name
β-L-ribopyranose
Synonyms
L-Arabinopyranose
CAS Number
87-72-9
MDL Number
MFCD00067709
PubChem SID
180674915
PubChem CID
12306941

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD220078 Please log in.
Data Source Data ID
PubChem 12306941 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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