NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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IUPAC Traditional name
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Synonyms
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1H-Purine-2,6-diol
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Xanthine
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CAS Number
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PubChem SID
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PubChem CID
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CHEBI ID
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CHEMBL
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Chemspider ID
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DrugBank ID
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KEGG ID
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Unique Ingredient Identifier
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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
|
9.225267
|
H Acceptors
|
5
|
H Donor
|
3
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LogD (pH = 5.5)
|
0.32699227
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LogD (pH = 7.4)
|
0.32132506
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Log P
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0.3271111
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Molar Refractivity
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37.4269 cm3
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Polarizability
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13.540301 Å3
|
Polar Surface Area
|
94.92 Å2
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Rotatable Bonds
|
0
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Lipinski's Rule of Five
|
true
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DETAILS
DETAILS
Wikipedia
PATENTS
PATENTS
PubChem Patent
Google Patent