Basic information
- Standard SMILES
O=c1c2ncn([C@H]3C=C[C@@H](COCc4ccccc4)O3)c2ncn1Cc1ccccc1- InChIKey
JBCZNQBWAAUUMJ-LEWJYISDSA-N- Molecular formula
- C24H22N4O3
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- N1,5'-O-dibenzyl-2',3'-didehydro-2',3'-dideoxyinosine
- IUPAC
- 1-benzyl-9-[(2R,5S)-5-(phenylmethoxymethyl)-2,5-dihydrofuran-2-yl]purin-6-one
Names & synonyms
JBCZNQBWAAUUMJ-LEWJYISDSA-NN1,5'-O-dibenzyl-2',3'-didehydro-2',3'-dideoxyinosine
Database identifiers
- PubChem CID
- 11683075
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 672
Related reactions
6 records
Compound notes
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