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(2R,4S,5S,6R)-6-methyloxane-2,4,5-triol
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ChemBase ID:
110171
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Molecular Formular:
C6H12O4
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Molecular Mass:
148.15708
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Monoisotopic Mass:
148.07355886
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SMILES and InChIs
SMILES:
O[C@@H]1[C@H](O[C@@H](O)C[C@@H]1O)C
Canonical SMILES:
O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O
InChI:
InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKey:
FDWRIIDFYSUTDP-JGWLITMVSA-N
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Cite this record
CBID:110171 http://www.chembase.cn/molecule-110171.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,4S,5S,6R)-6-methyloxane-2,4,5-triol
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IUPAC Traditional name
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(2R,4S,5S,6R)-6-methyloxane-2,4,5-triol
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Synonyms
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CAS Number
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EC 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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12.309899
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-0.98499125
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LogD (pH = 7.4)
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-0.9849965
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Log P
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-0.9849912
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Molar Refractivity
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32.869 cm3
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Polarizability
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13.731559 Å3
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Polar Surface Area
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69.92 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent