Basic information
- Standard SMILES
CCCCCCn1c(=O)c2c(ncn2CP(C)(C)=O)n(C)c1=O- InChIKey
SZTOJJJGDSDVLT-UHFFFAOYSA-N- Molecular formula
- C15H25N4O3P
- Average molar mass
- 340.36 g/mol
Names & identifiers
- Preferred name
- [1-(1-Hexyl-3-methylxanthin-7-yl)methyl]dimethylphosphine Oxide
- IUPAC
- 7-(dimethylphosphorylmethyl)-1-hexyl-3-methylpurine-2,6-dione
Names & synonyms
SCHEMBL8660416SZTOJJJGDSDVLT-UHFFFAOYSA-N[1-(1-Hexyl-3-methylxanthin-7-yl)methyl]dimethylphosphine Oxide
Database identifiers
- PubChem CID
- 19689166
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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