Basic information
- Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNc4ccc(C)nc4C)nc32)[C@H](O)[C@@H]1O- InChIKey
JMAMLHBRATYWQX-FTBITJBVSA-N- Molecular formula
- C33H37N7O4
- Average molar mass
- 595.7 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-{2-{[(2,6-Dimethyl-3-pyridinyl)amino]methyl}-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol
- IUPAC
- (2R,3R,4S,5R)-2-[2-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL5695001JMAMLHBRATYWQX-FTBITJBVSA-N(2R,3R,4S,5R)-2-{2-{[(2,6-Dimethyl-3-pyridinyl)amino]methyl}-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl}-5-(methoxymethyl)tetrahydro-3,4-furandiol
Database identifiers
- PubChem CID
- 9851545
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 859
Related reactions
1 records
Compound notes
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