2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-, (E)-
Basic information
- CAS
130351-63-2- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](CO)[C@@H]2O)cc1/C=C/Br- InChIKey
LNMGBEHJIWCBAA-LMYMSVDUSA-N- Molecular formula
- C12H15BrN2O6
- Average molar mass
- 363.16 g/mol
- Monoisotopic mass
- 362.01135
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-, (E)-
- IUPAC
- 5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
3'-Hydroxymethyl Ara-5-Br-vinyl-U130351-63-22,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-1-(3-deoxy-3-(hydroxymethyl)-beta-D-arabinofuranosyl)-, (E)-(E)-5-(2-Bromovinyl)-1-(3-deoxy-3-C-(hydroxymethyl)-beta-D-arabino-pentofuranosyl uracil(E)-5-(2-Bromovinyl)-1-[3-deoxy-3-C-(hydroxymethyl)-.beta.-D-arabino-pentofuranosyl uracil2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-1-[3-deoxy-3-(hydroxymethyl)-.beta.-D-arabinofuranosyl]-, (E)-5-[(E)-2-bromovinyl]-1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
130351-63-2- PubChem CID
- 6451102
- Nikkaji
- J343.692F
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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