Basic information
- Standard SMILES
CCOS(=O)(=O)C=C[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21- InChIKey
AMFQTQPSZBMKKZ-SDBHATRESA-N- Molecular formula
- C16H19ClN4O6S
- Average molar mass
- 430.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[(3aR,4R,6R,6aR)-6-(6-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenesulfonate
- IUPAC
- ethyl 2-[(3aR,4R,6R,6aR)-4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethenesulfonate
Names & synonyms
SCHEMBL1799559AMFQTQPSZBMKKZ-SDBHATRESA-NEthyl 2-[(3aR,4R,6R,6aR)-6-(6-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydro-furo[3,4-d][1,3]dioxol-4-yl]ethenesulfonateEthyl 2-[(3aR,4R,6R,6aR)-6-(6-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro-[3,4-d][1,3]dioxol-4-yl]ethenesulfonateEthyl 2-[(3aR,4R,6R,6aR)-6-(6-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethenesulfonate
Database identifiers
- PubChem CID
- 86607308
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 716
Related reactions
2 records
Compound notes
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