(R)-3-(5-hydroxyhexyl)-1,7-dimethylxanthine

HCID 11637713
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Basic information

Standard SMILES
C[C@@H](O)CCCCn1c(=O)n(C)c(=O)c2c1ncn2C
InChIKey
IVLTXYULUWLVRP-SECBINFHSA-N
Molecular formula
C13H20N4O3
Average molar mass
280.32 g/mol
Monoisotopic mass
280.15354051

Names & identifiers

Preferred name
(R)-3-(5-hydroxyhexyl)-1,7-dimethylxanthine
IUPAC
3-[(5R)-5-hydroxyhexyl]-1,7-dimethylpurine-2,6-dione

Names & synonyms

SCHEMBL682195IVLTXYULUWLVRP-SECBINFHSA-N(R)-3-(5-hydroxyhexyl)-1,7-dimethylxanthine

Database identifiers

PubChem CID
11637713

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
78.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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