Basic information
- Standard SMILES
CCOC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1- InChIKey
IQBHZSDHJDDFPF-RKCWLVDCSA-N- Molecular formula
- C27H29N5O6
- Average molar mass
- 519.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purine-2-carboxylate
- IUPAC
- ethyl 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purine-2-carboxylate
Names & synonyms
SCHEMBL4380793IQBHZSDHJDDFPF-RKCWLVDCSA-NEthyl 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-[(2,2-d iphenylethyl)amino]-9H-purine-2-carboxylateEthyl 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purine-2-carboxylate
Database identifiers
- PubChem CID
- 10301575
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 748
Related reactions
2 records
Compound notes
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