NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethan-1-one
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IUPAC Traditional name
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Synonyms
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L-picein
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Ameliaroside
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Picein
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CAS Number
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PubChem SID
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PubChem CID
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Chemspider ID
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Wikipedia Title
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.200102
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H Acceptors
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7
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H Donor
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4
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LogD (pH = 5.5)
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-1.0407401
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LogD (pH = 7.4)
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-1.0407469
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Log P
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-1.0407401
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Molar Refractivity
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70.5861 cm3
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Polarizability
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28.37598 Å3
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Polar Surface Area
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116.45 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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PROPERTIES
PROPERTIES
Bioassay(PubChem)
DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent