1-(8,9-Dihydroxynonyl)-3,7-dimethylxanthine

HCID 9840808
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Basic information

Standard SMILES
Cn1cnc2c1c(=O)n(CCCCCCCC(O)CO)c(=O)n2C
InChIKey
ZINZBKGLWCNGTJ-UHFFFAOYSA-N
Molecular formula
C16H26N4O4
Average molar mass
338.4 g/mol
Monoisotopic mass
338.19540532

Names & identifiers

Preferred name
1-(8,9-Dihydroxynonyl)-3,7-dimethylxanthine
IUPAC
1-(8,9-dihydroxynonyl)-3,7-dimethylpurine-2,6-dione

Names & synonyms

SCHEMBL6774042ZINZBKGLWCNGTJ-UHFFFAOYSA-N1-(8,9-Dihydroxynonyl)-3,7-dimethylxanthine

Database identifiers

PubChem CID
9840808

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
98.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
24

Related reactions

32 records
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Compound notes

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