Basic information
- Standard SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OCn1cnc2c(=O)[nH]c(N)nc21- InChIKey
COELUGODEFADMG-UHFFFAOYSA-N- Molecular formula
- C25H41N5O6
- Average molar mass
- 507.6 g/mol
Names & identifiers
- Preferred name
- 9-(1,3-Di-n-octanoyloxy-2-propoxymethyl)guanine
- IUPAC
- [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-octanoyloxypropyl] octanoate
Names & synonyms
SCHEMBL9583003COELUGODEFADMG-UHFFFAOYSA-N9-(1,3-di-n-octanoyloxy-2-propoxymethyl)guanine9-(1,3-di-n-octanoyloxy-2-propoxy methyl)guanine
Database identifiers
- PubChem CID
- 136332159
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 689
Related reactions
10 records
Compound notes
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