chempirical

Brivudine

C11H13BrN2O5CAS 69304-47-8333.14 g/mol

Open in Covalent MOL file
ONOHBrNOHHOO
AlcoholAlkeneEtherPhenolVinyl halide

Properties

Molecular formula
C11H13BrN2O5
Molar mass
333.14 g/mol
Exact mass
332.0008 Da
Melting point
164–166 °C
logP
-0.04Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3
Stereocentres
R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
69304-47-8
SMILES
O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
ODZBBRURCPAEIQ-PIXDULNESA-N
InChI
InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Uridine, 5-[(1E)-2-bromoethenyl]-2′-deoxy-
  • Uridine, 5-(2-bromoethenyl)-2′-deoxy-, (E)-
  • 5-[(1E)-2-Bromoethenyl]-2′-deoxyuridine
  • BVDU
  • (E)-5-(2-Bromovinyl)deoxyuridine
  • (E)-5-O-(2-Bromoethenyl)-2′-deoxyuridine
  • 5-[(E)-2-Bromoethenyl]-2′-deoxyuridine
  • Helpin
  • (E)-5-(2-Bromovinyl)-2′-deoxyuridine
  • Brivudin
  • Bromovinyldeoxyuridine
  • RP 101

Work with Brivudine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxymethyl-2′-deoxyuridine5116-24-570 % similar Bromodeoxyuridine59-14-370 % similar Telbivudine3424-98-469 % similar Thymidine50-89-569 % similar 5-Chloro-2′-deoxyuridine50-90-867 % similar Floxuridine50-91-967 % similar 5-Iodo-2′-deoxyuridine54-42-267 % similar 5-Ethynyl-2'-deoxyuridine61135-33-967 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook