Basic information
- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OC)nc32)[C@H](O)[C@H]1O- InChIKey
IDONZQXOTAQLGQ-RRHHDSEZSA-N- Molecular formula
- C28H30N6O6
- Average molar mass
- 546.6 g/mol
Names & identifiers
- Preferred name
- Methyl 6-[(2,2-diphenylethyl)amino]-9{-(2R,3R,4R,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylate
- IUPAC
- methyl 6-(2,2-diphenylethylamino)-9-[(2R,3R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purine-2-carboxylate
Names & synonyms
SCHEMBL6831924IDONZQXOTAQLGQ-RRHHDSEZSA-NMethyl 6-[(2,2-diphenylethyl)amino]-9{-(2R,3R,4R,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-9H-purine-2-carboxylate
Database identifiers
- PubChem CID
- 18345897
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 837
Related reactions
1 records
Compound notes
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