Basic information
- Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CSc4ccccc4)nc32)[C@H](O)[C@@H]1O- InChIKey
IRZLKLDTTWGIDK-FANUBLADSA-N- Molecular formula
- C32H33N5O4S
- Average molar mass
- 583.7 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(phenylsulfanyl)methyl]-9H-purin-9-yl}-5(methoxymethyl)tetrahydro-3,4-furandiol
- IUPAC
- (2R,3R,4S,5R)-2-[6-(2,2-diphenylethylamino)-2-(phenylsulfanylmethyl)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL5695067IRZLKLDTTWGIDK-FANUBLADSA-N(2R,3R,4S,5R)-2-{6-[(2,2-Diphenylethyl)amino]-2-[(phenylsulfanyl)methyl]-9H-purin-9-yl}-5(methoxymethyl)tetrahydro-3,4-furandiol
Database identifiers
- PubChem CID
- 9873095
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 794
Related reactions
1 records
Compound notes
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