Basic information
- Standard SMILES
O[C@@H]1[C@H](O)[C@@H](c2nnn(Cc3ccccc3)n2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc21- InChIKey
ORAKYBLRUWOQQT-YRIIQKNPSA-N- Molecular formula
- C31H28ClN9O3
- Average molar mass
- 610.1 g/mol
Names & identifiers
- Preferred name
- (2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
- IUPAC
- (2R,3S,4R,5R)-2-(2-benzyltetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenylethylamino)purin-9-yl]oxolane-3,4-diol
Names & synonyms
SCHEMBL2805185ORAKYBLRUWOQQT-YRIIQKNPSA-N(2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol(2R,3S,4R,5R)-2-(2-benzyl-2H-tetrazol-5-yl)-5-[2-chloro-6-(2,2-diphenylethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
Database identifiers
- PubChem CID
- 86645702
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 891
Related reactions
2 records
Compound notes
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