5'-O-[({[(P,P-Dihydroxyphosphorimidoyl)Oxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]Thymidine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H18N3O13P3++
IUPAC Name dihydroxyphosphinimyl [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 481.184 g·mol−1
Heat of Formation -3218.2 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 455.73 Å 3
Surface Area 344.01 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • (dihydroxyphosphinimyloxy-hydroxy-phosphoryl) [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • (dihydroxyphosphinimyloxy-hydroxy-phosphoryl) [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (dihydroxyphosphinimyloxy-hydroxy-phosphoryl) [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (dihydroxyphosphinimyloxy-hydroxyphosphoryl) [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • (dihydroxyphosphinimyloxy-hydroxyphosphoryl) [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
  • thymidine 5'-(alpha,beta-imido)triphosphate
  • thymidine, 5'-(p,p',p'',p''-tetrahydrogen imidotriphosphate)
  • tmpnpp
CAS Number(s)
  • 141171-14-4
InChIKey YWEMMKPYZAJLQM-XLPZGREQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N