5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Basic information
- CAS
61135-36-2- Standard SMILES
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C=C(Br)Br- InChIKey
OGFRDDQDVKGOPG-LKEWCRSYSA-N- Molecular formula
- C11H12Br2N2O5
- Average molar mass
- 412.03 g/mol
- Monoisotopic mass
- 409.9113
Names & identifiers
- Preferred name
- 5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
61135-36-25-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dioneUridine, 2'-deoxy-5-(2,2-dibromoethenyl)-5-(2,2-dibromovinyl)-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneAC1LADOBBrivudine Impurity 49SCHEMBL2184078CHEMBL3143940DTXSID30333575Uridine,2'-deoxy-5-(2,2-dibromoethenyl)-2'-Deoxy-5-(2,2-dibromoethen-1-yl)uridine2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-b-D-erythro-pentofuranosyl)-5-(2,2-dibromoethenyl)-
Show more names
5-(2,2-Dibromo-vinyl)-4-hydroxy-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one5-(2,2-dibromovinyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione5-(2,2-dibromovinyl)-4-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Database identifiers
- CAS
61135-36-2- PubChem CID
- 511990
- DTXSID
DTXSID30333575
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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