Basic information
- Standard SMILES
O=C(CO)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O- InChIKey
RERUJUHQVLRGDC-CSGUBPAMSA-N- Molecular formula
- C26H27ClN6O4
- Average molar mass
- 523 g/mol
Names & identifiers
- Preferred name
- N-{(1S,2R,3S,4R)-4-[2-Chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-2-hydroxy-acetamide
- IUPAC
- N-[(1S,2R,3S,4R)-4-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-2-hydroxyacetamide
Names & synonyms
SCHEMBL241132RERUJUHQVLRGDC-CSGUBPAMSA-NN-{(1S,2R,3S,4R)-4-[2-Chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-2-hydroxy-acetamide
Database identifiers
- PubChem CID
- 86637575
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 737
Related reactions
5 records
Compound notes
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