NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-(6-benzamido-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl benzoate
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IUPAC Traditional name
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5-(6-benzamidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl benzoate
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Synonyms
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N6,3′-O-Dibenzoyl-2′-deoxyadenosine
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CAS Number
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EC Number
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MDL 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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8.5587635
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H Acceptors
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7
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H Donor
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2
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LogD (pH = 5.5)
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3.224992
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LogD (pH = 7.4)
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3.198096
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Log P
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3.2257848
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Molar Refractivity
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122.34 cm3
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Polarizability
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46.8219 Å3
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Polar Surface Area
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128.46 Å2
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Rotatable Bonds
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7
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
German water hazard class
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3
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Show
data source
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Storage Temperature
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-20°C
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent