Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@@H]1O- InChIKey
QCJHCIGVMQZZEP-RBZQAINGSA-N- Molecular formula
- C30H49N5O6
- Average molar mass
- 575.7 g/mol
- Monoisotopic mass
- 575.3682843
Names & identifiers
- Preferred name
- 5'-O-palmitoyl-N2-isobutyryl-2'-deoxyguanosine
- IUPAC
- [(2R,3S,5R)-3-hydroxy-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl hexadecanoate
Names & synonyms
SCHEMBL5354398QCJHCIGVMQZZEP-RBZQAINGSA-N5'-O-palmitoyl-N2-isobutyryl-2'-deoxyguanosine5'-O-palmitoyl-N2 -isobutyryl-2'-deoxyguanosine
Database identifiers
- PubChem CID
- 136107953
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 868
Related reactions
3 records
Compound notes
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