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2438-80-4 molecular structure
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(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

ChemBase ID: 127488
Molecular Formular: C6H12O5
Molecular Mass: 164.15648
Monoisotopic Mass: 164.06847348
SMILES and InChIs

SMILES:
O[C@@H]1[C@H](O)[C@@H](OC(O)[C@H]1O)C
Canonical SMILES:
O[C@@H]1[C@H](C)OC([C@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
InChIKey:
SHZGCJCMOBCMKK-DHVFOXMCSA-N

Cite this record

CBID:127488 http://www.chembase.cn/molecule-127488.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
IUPAC Traditional name
L-fucose
Synonyms
6-Deoxy-L-galactose
Fucose
CAS Number
2438-80-4
PubChem SID
162221807
PubChem CID
17106
CHEBI ID
2181
CHEMBL
469449
Chemspider ID
16190
Unique Ingredient Identifier
28RYY2IV3F
Wikipedia Title
Fucose

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Wikipedia Fucose external link
PubChem 17106 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.30218  H Acceptors
H Donor LogD (pH = 5.5) -1.8856299 
LogD (pH = 7.4) -1.8856835  Log P -1.8856293 
Molar Refractivity 34.3797 cm3 Polarizability 14.43744 Å3
Polar Surface Area 90.15 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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