ChemSpider 2D Image | 5-[(E)-2-(4-Azidophenyl)vinyl]-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione | C17H20N5O15P3

5-[(E)-2-(4-Azidophenyl)vinyl]-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H20N5O15P3
  • Average mass627.286 Da
  • Monoisotopic mass627.016846 Da
  • ChemSpider ID4947891
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,4(1H,3H)-Pyrimidinedione, 5-[(E)-2-(4-azidophenyl)ethenyl]-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]- [ACD/Index Name]
5-[(E)-2-(4-Azidophenyl)vinyl]-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-[(E)-2-(4-Azidophenyl)vinyl]-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-[(E)-2-(4-Azidophényl)vinyl]-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
[[(2R,3S,4S,5R)-5-[5-[(E)-2-(4-Azidophenyl)ethenyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
117591-28-3 [RN]
1-AF-AZ Utp
1-Arabinofuranosyl-5-(4-azidostyryl)uracil 5'-triphosphate
2,4(1H,3H)-Pyrimidinedione,5-[2-(4-azidophenyl)ethenyl]-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-, (E)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.14
ACD/LogD (pH 5.5): -10.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability:
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