Basic information
- Standard SMILES
CCCn1cnc2c1c(=O)n(CCCCP(=O)(OCC)OCC)c(=O)n2C- InChIKey
DKPKTYXXIVXNOG-UHFFFAOYSA-N- Molecular formula
- C17H29N4O5P
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- Diethyl [4-(3-methyl-7-propyl-xanthin-1-yl)butyl]phosphonate
- IUPAC
- 1-(4-diethoxyphosphorylbutyl)-3-methyl-7-propylpurine-2,6-dione
Names & synonyms
SCHEMBL7457088DKPKTYXXIVXNOG-UHFFFAOYSA-NDiethyl [4-(3-methyl-7-propyl-xanthin-1-yl)butyl]phosphonate
Database identifiers
- PubChem CID
- 22446293
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
2 records
Compound notes
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