Basic information
- Standard SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OC)nc32)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1- InChIKey
URHLPSHZJGIFDS-QNWXHKOGSA-N- Molecular formula
- C42H38N6O8
- Average molar mass
- 754.8 g/mol
Names & identifiers
- Preferred name
- methyl 9-{(2R,3R,4R,5S)-3,4-bis(benzoyloxy)-5-[(ethylamino)carbonyl]-tetrahydro-2-furanyl}-6-[(2,2-diphenylethyl)amino]-9H-purine-2-carboxylate
- IUPAC
- methyl 9-[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-(ethylcarbamoyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purine-2-carboxylate
Names & synonyms
SCHEMBL4372707URHLPSHZJGIFDS-QNWXHKOGSA-Nmethyl 9-{(2R,3R,4R,5S)-3,4-bis(benzoyloxy)-5-[(ethylamino)carbonyl]-tetrahydro-2-furanyl}-6-[(2,2-diphenylethyl)amino]-9H-purine-2-carboxylate
Database identifiers
- PubChem CID
- 18345898
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
3 records
Compound notes
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