Basic information
- CAS
80646-51-1- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](Cl)[C@@H](CO)O2)cc1C=CBr- InChIKey
MSJGPEBCSLBJRF-DJLDLDEBSA-N- Molecular formula
- C11H12BrClN2O4
- Average molar mass
- 351.58 g/mol
- Monoisotopic mass
- 349.9669
Names & identifiers
- Preferred name
- 5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 5-(2-bromoethenyl)-1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
CTK3E529880646-51-1SCHEMBL3066256DTXSID204225035-(2-Bromoethen-1-yl)-3'-chloro-2',3'-dideoxyuridine
Database identifiers
- CAS
80646-51-1- PubChem CID
- 6320191
- DTXSID
DTXSID20422503
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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