ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-glycero-pentofuranosyl]-5-[(1E)-1-propen-1-yl]-2,4(1H,3H)-pyrimidinedione | C12H19N2O14P3

1-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-5-[(1E)-1-propen-1-yl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H19N2O14P3
  • Average mass508.206 Da
  • Monoisotopic mass508.004913 Da
  • ChemSpider ID4942886
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres


More details:






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

1-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-5-[(1E)-1-propen-1-yl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-5-[(1E)-1-propen-1-yl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycéro-pentofuranosyl]-5-[(1E)-1-propén-1-yl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-glycero-pentofuranosyl]-5-[(1E)-1-propen-1-yl]- [ACD/Index Name]
5-Propenyl-dutp
79551-91-0 [RN]
E-5-Propenyl-dutp
Uridine, 5'-(tetrahydrogen triphosphate), 2'-deoxy-5-(1-propenyl)-, (E)-

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -11.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 109.3±3.0 dyne/cm
Molar Volume: 266.7±3.0 cm3

Click to predict properties on the Chemicalize site






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