Basic information
- Standard SMILES
CC1(C)OC2C(CNC3CC(CCC(=O)OCc4ccccc4)C3)OC(n3cnc4c(N)ncnc43)C2O1- InChIKey
HPEGFHQWCJDFPK-UHFFFAOYSA-N- Molecular formula
- C27H34N6O5
- Average molar mass
- 522.6 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate
- IUPAC
- benzyl 3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylamino]cyclobutyl]propanoate
Database identifiers
- PubChem CID
- 77353095
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 822
Related reactions
6 records
Compound notes
Loading…