Basic information
- Standard SMILES
CCCCOc1nc(N)c2nc(OC)n(CCCO)c2n1- InChIKey
UEOTVYMNUAWSNU-UHFFFAOYSA-N- Molecular formula
- C13H21N5O3
- Average molar mass
- 295.34 g/mol
Names & identifiers
- Preferred name
- 2-Butoxy-9-(3-hydroxypropyl)-8-methoxyadenine
- IUPAC
- 3-(6-amino-2-butoxy-8-methoxypurin-9-yl)propan-1-ol
Names & synonyms
SCHEMBL1146459UEOTVYMNUAWSNU-UHFFFAOYSA-N2-Butoxy-9-(3-hydroxypropyl)-8-methoxyadenine3-(6-amino-2-butoxy-8-methoxy-9H-purin-9-yl)propan-1-ol
Database identifiers
- PubChem CID
- 59281132
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
3 records
Compound notes
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