Basic information
- Standard SMILES
CCCn1c(=O)c2c(ncn2CC(O)CO)n(CCC)c1=O- InChIKey
RIDAOPWBOZRIKW-UHFFFAOYSA-N- Molecular formula
- C14H22N4O4
- Average molar mass
- 310.35 g/mol
Names & identifiers
- Preferred name
- 7-(2,3-Dihydroxypropyl)-1,3-di-n-propylxanthine
- IUPAC
- 7-(2,3-dihydroxypropyl)-1,3-dipropylpurine-2,6-dione
Names & synonyms
SCHEMBL7741810RIDAOPWBOZRIKW-UHFFFAOYSA-N7-(2,3-dihydroxypropyl)-1,3-di-n-propylxanthine
Database identifiers
- PubChem CID
- 18465367
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
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