NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl}-5-methoxy-4H-pyran-4-one
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IUPAC Traditional name
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2-{[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl}-5-methoxypyran-4-one
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Synonyms
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2-{[(3S*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]methyl}-5-methoxy-4H-pyran-4-one
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.451108
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H Acceptors
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6
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H Donor
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2
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LogD (pH = 5.5)
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-1.9254107
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LogD (pH = 7.4)
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-0.9794099
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Log P
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-0.93359464
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Molar Refractivity
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71.5487 cm3
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Polarizability
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27.020937 Å3
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Polar Surface Area
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79.23 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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2
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Log P
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-0.88
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LOG S
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0.57
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Polar Surface Area
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83.14 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent