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Basic information
- Standard SMILES
CCOS(=O)(=O)C=CC1OC(n2cnc3c(Cl)ncnc32)C2OC(C)(C)OC12- InChIKey
AMFQTQPSZBMKKZ-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4O6S
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.0713832
Names & identifiers
- IUPAC
- ethyl 2-[4-(6-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethenesulfonate
Database identifiers
- PubChem CID
- 72394183
Properties
Computed structural propertiesFilling in
- 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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