Basic information
- Standard SMILES
CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C1CC(CCC(=O)Nc2cc(C3COC3)ccc2N)C1- InChIKey
XFBIWQYJXSTNEW-WJPJPYPPSA-N- Molecular formula
- C30H40N8O5
- Average molar mass
- 592.7 g/mol
Names & identifiers
- Preferred name
- N-(2-amino-5-(oxetan-3-yl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanamide
- IUPAC
- 3-[3-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]-N-[2-amino-5-(oxetan-3-yl)phenyl]propanamide
Names & synonyms
SCHEMBL9106959XFBIWQYJXSTNEW-WJPJPYPPSA-NN-(2-amino-5-(oxetan-3-yl)phenyl)-3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanamide
Database identifiers
- PubChem CID
- 67775354
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 998
Related reactions
4 records
Compound notes
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