Basic information
- Standard SMILES
CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)C1CC(N)C1- InChIKey
UXTXNYCPEFMJHC-WJDBLMMSSA-N- Molecular formula
- C18H27N7O3
- Average molar mass
- 389.5 g/mol
Names & identifiers
- Preferred name
- N1-(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)-N1-methylcyclobutane-1,3-diamine
- IUPAC
- 1-N-[[(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]-1-N-methylcyclobutane-1,3-diamine
Names & synonyms
SCHEMBL9108504UXTXNYCPEFMJHC-WJDBLMMSSA-NN1-(((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)-N1-methylcyclobutane-1,3-diamine
Database identifiers
- PubChem CID
- 67776131
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 590
Related reactions
2 records
Compound notes
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