Basic information
- CAS
115899-34-8- Standard SMILES
OC[C@@H]1CC[C@H](n2ccc3c(Cl)ncnc32)O1- InChIKey
PEFXSWGFSSZAAZ-IONNQARKSA-N- Molecular formula
- C11H12ClN3O2
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0618043
Names & identifiers
- Preferred name
- 4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside
- IUPAC
- [(2S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
Names & synonyms
dd-4-Cl-pyrrolopyrimidine4-Chloropyrrolo(2,3-d)pyrimidine-2',3'-dideoxyribofuranoside115899-34-84-Chloropyrrolo[2,3-d]pyrimidine-2',3'-dideoxyribofuranosideSCHEMBL18572595DTXSID50151213[(2S,5R)-5-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol[(2S,5R)-5-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methanol
Database identifiers
- CAS
115899-34-8- PubChem CID
- 451983
- DTXSID
DTXSID50151213- Nikkaji
- J352.460D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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