Basic information
- Standard SMILES
CCCCCC(=O)Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1- InChIKey
XOTXCIYPIYXPBZ-UHFFFAOYSA-N- Molecular formula
- C16H25N5O4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.1906543
Names & identifiers
- Preferred name
- N2-hexanoyl-9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine
- IUPAC
- N-[9-[4-hydroxy-3-(hydroxymethyl)butyl]-6-oxo-1H-purin-2-yl]hexanamide
Names & synonyms
SCHEMBL5930047XOTXCIYPIYXPBZ-UHFFFAOYSA-NN2-hexanoyl-9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine
Database identifiers
- PubChem CID
- 136018077
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
3 records
Compound notes
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