(2R,3R,4S,5R)-2-{2-[2-(Cyclohexylamino)ethyl]-6-[(2,2-diphenyl ethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol
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Basic information
- Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CCNC4CCCCC4)nc32)[C@H](O)[C@@H]1O- InChIKey
ZLTQPWYNPZMERV-FTBITJBVSA-N- Molecular formula
- C33H42N6O4
- Average molar mass
- 586.7 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-{2-[2-(Cyclohexylamino)ethyl]-6-[(2,2-diphenyl ethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol
- IUPAC
- (2R,3R,4S,5R)-2-[2-[2-(cyclohexylamino)ethyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
Names & synonyms
CHEMBL257429SCHEMBL7777271ZLTQPWYNPZMERV-FTBITJBVSA-NBDBM50372026(2R,3R,4S,5R)-2-{2-[2-(Cyclohexylamino)ethyl]-6-[(2,2-diphenyl ethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol
Database identifiers
- PubChem CID
- 9851372
- ChEMBL
CHEMBL257429
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 805
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Related reactions
1 records
Compound notes
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