[4-(6-Amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
Basic information
- CAS
53458-44-9- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2OC(n3cnc4c(N)nc(Cl)nc43)C3OC(C)(C)OC23)cc1- InChIKey
FVXNGVSQUYYMBV-UHFFFAOYSA-N- Molecular formula
- C20H22ClN5O6S
- Average molar mass
- 495.9 g/mol
- Monoisotopic mass
- 495.0979323
Names & identifiers
- Preferred name
- [4-(6-Amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
- IUPAC
- [4-(6-amino-2-chloropurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
Names & synonyms
NSC16468653458-44-9DTXSID90304226NSC-1646862-Chloro-9-[5-O-(4-methylbenzene-1-sulfonyl)-2,3-O-(1-methylethylidene)pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
53458-44-9- PubChem CID
- 295503
- DTXSID
DTXSID90304226
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 822
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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