Basic information
- Standard SMILES
CNC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@@H]1O- InChIKey
ITCIQRQBKUJDSH-CNEMSGBDSA-N- Molecular formula
- C17H20N6O3
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.15968852
Names & identifiers
- Preferred name
- 5'-Deoxy-5'-methylamino-8-phenyladenosine
- IUPAC
- (2R,3R,4S,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL954611ITCIQRQBKUJDSH-CNEMSGBDSA-N5'-Deoxy-5'-methylamino-8-phenyladenosine
Database identifiers
- PubChem CID
- 25232002
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
1 records
Compound notes
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