5-{(2E)-3-[(Bromoacetyl)Amino]-2-Propen-1-Yl}Uridine 3'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C14H19BrN3O10P
IUPAC Name [(2r,3s,4r,5r)-5-[5-[(e)-3-[(2-bromoacetyl)amino]allyl]-2,4-dioxo-pyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 500.193 g·mol−1
Heat of Formation -2006.8 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 480.39 Å 3
Surface Area 410.2 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(3-(bromoacetamido)allyl)uridine-3'-monophosphate
  • [(2r,3s,4r,5r)-5-[5-[(e)-3-(2-bromoethanoylamino)prop-2-enyl]-2,4-dioxo-pyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[(e)-3-[(2-bromo-1-oxoethyl)amino]prop-2-enyl]-2,4-dioxo-1-pyrimidinyl]-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[(e)-3-[(2-bromoacetyl)amino]prop-2-enyl]-2,4-diketo-pyrimidin-1-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[(e)-3-[(2-bromoacetyl)amino]prop-2-enyl]-2,4-dioxo-pyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[5-[(e)-3-[(2-bromoacetyl)amino]prop-2-enyl]-2,4-dioxopyrimidin-1-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • brac-ump
CAS Number(s)
  • 144978-95-0
InChIKey BHEOWXWZDABYGJ-KNPYVMOCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P Br