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(2R,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
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ChemBase ID:
295702
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Molecular Formular:
C6H12O6
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Molecular Mass:
180.15588
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Monoisotopic Mass:
180.0633881
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SMILES and InChIs
SMILES:
C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O
Canonical SMILES:
OC[C@@H]1O[C@@H](O)[C@H]([C@@H]([C@@H]1O)O)O
InChI:
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1
InChIKey:
WQZGKKKJIJFFOK-SXUWKVJYSA-N
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Cite this record
CBID:295702 http://www.chembase.cn/molecule-295702.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
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IUPAC Traditional name
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Synonyms
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L-(-)-Galactose
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L-(-)-半乳糖
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.298101
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H Acceptors
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6
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H Donor
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5
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LogD (pH = 5.5)
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-2.93254
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LogD (pH = 7.4)
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-2.932594
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Log P
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-2.9325392
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Molar Refractivity
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35.9234 cm3
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Polarizability
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15.155883 Å3
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Polar Surface Area
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110.38 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent