NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[(3-hydroxy-5-{3H-imidazo[2,1-f]purin-3-yl}oxolan-2-yl)methoxy]phosphonic acid sodium
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IUPAC Traditional name
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(3-hydroxy-5-{imidazo[2,1-f]purin-3-yl}oxolan-2-yl)methoxyphosphonic acid sodium
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Synonyms
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1,N6-Etheno-2′-deoxyadenosine 5′-monophosphate sodium salt
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CAS 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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1.2516961
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H Acceptors
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8
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H Donor
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3
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LogD (pH = 5.5)
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-3.9783697
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LogD (pH = 7.4)
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-5.0915956
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Log P
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-3.7179263
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Molar Refractivity
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78.954 cm3
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Polarizability
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31.056107 Å3
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Polar Surface Area
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144.23 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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PATENTS
PATENTS
PubChem Patent
Google Patent