Basic information
- CAS
78586-42-2- Standard SMILES
CC(=O)OCC1OC(n2ncc3c(Sc4c([N+](=O)[O-])ncn4C)ncnc32)C(OC(C)=O)C1OC(C)=O- InChIKey
JPWHWZQDFFKRHO-UHFFFAOYSA-N- Molecular formula
- C20H21N7O9S
- Average molar mass
- 535.5 g/mol
- Monoisotopic mass
- 535.11214645
Names & identifiers
- Preferred name
- [3,4-Diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
- IUPAC
- [3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[5,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetate
Names & synonyms
78586-42-2NSC276384[3,4-diacetyloxy-5-[4-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl acetateDTXSID80313746NSC-2763844-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1-(2,3,5-tri-O-acetylpentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- CAS
78586-42-2- PubChem CID
- 321887
- DTXSID
DTXSID80313746
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 895
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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