Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C4COC4)ccc3[nH]2)C1- InChIKey
RSJWGRQWTPJMLN-WVIRASMTSA-N- Molecular formula
- C27H34N8O4
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.2703016
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((methyl(3-(2-(5-(oxetan-3-yl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)amino)methyl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[methyl-[3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
Names & synonyms
SCHEMBL9104519SCHEMBL9109056RSJWGRQWTPJMLN-WVIRASMTSA-N(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((methyl(3-(2-(5-(oxetan-3-yl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)amino)methyl)tetrahydrofuran-3,4-diol
Database identifiers
- PubChem CID
- 67774125
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 849
Related reactions
1 records
Compound notes
Loading…