Basic information
- Standard SMILES
C[C@@H](OCc1ccccc1)C(=O)N[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O- InChIKey
KORQMADTMSBAMH-FESDDOHESA-N- Molecular formula
- C20H21Cl2N5O4
- Average molar mass
- 466.3 g/mol
Names & identifiers
- Preferred name
- (R)-2-benzyloxy-N-[(1S,2R,3S,4R)-4-(2,6-dichloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide
- IUPAC
- (2R)-N-[(1S,2R,3S,4R)-4-(2,6-dichloropurin-9-yl)-2,3-dihydroxycyclopentyl]-2-phenylmethoxypropanamide
Names & synonyms
SCHEMBL242859KORQMADTMSBAMH-FESDDOHESA-N(R)-2-benzyloxy-N-[(1S,2R,3S,4R)-4-(2,6-dichloro-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide
Database identifiers
- PubChem CID
- 86647544
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
4 records
Compound notes
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