Basic information
- CAS
86391-68-6- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1/C=C/Br- InChIKey
GCQYYIHYQMVWLT-YPLKXGEDSA-N- Molecular formula
- C11H13BrN2O6
- Average molar mass
- 349.13 g/mol
- Monoisotopic mass
- 347.9957
Names & identifiers
- Preferred name
- 5-[(E)-2-bromoethenyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 5-[(E)-2-bromoethenyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
BV-riboUe-5-2-bromovinyl uridine5-(2-Bromoethenyl)uridineCHEMBL375035SCHEMBL3503357129263-52-15-[(E)-2-bromoethenyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione5-((E)-2-Bromo-vinyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione5-[(E)-2-bromovinyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
86391-68-6- PubChem CID
- 6478043
- ChEMBL
CHEMBL375035- Nikkaji
- J1.356.210E、J665.248D
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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