N-(2-{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl}ethyl)methanesulfonamide
Basic information
- Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CCNS(C)(=O)=O)nc32)[C@H](O)[C@@H]1O- InChIKey
UAMPJFZTJADTDR-VGSCBBJJSA-N- Molecular formula
- C28H34N6O6S
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.226054
Names & identifiers
- Preferred name
- N-(2-{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl}ethyl)methanesulfonamide
- IUPAC
- N-[2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-6-(2,2-diphenylethylamino)purin-2-yl]ethyl]methanesulfonamide
Names & synonyms
SCHEMBL5695200UAMPJFZTJADTDR-VGSCBBJJSA-NN-(2-{9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(methoxymethyl)tetrahydro-2-furanyl]-6-[(2,2-diphenylethyl)amino]-9H-purin-2-yl}ethyl)methanesulfonamide
Database identifiers
- PubChem CID
- 9873080
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 896
Related reactions
1 records
Compound notes
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