ChemSpider 2D Image | (2E)-2-{[(E)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyvinyl]oxy}-3-hydroxy-2-propen-1-yl trihydrogen diphosphate | C9H12N2O12P2

(2E)-2-{[(E)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyvinyl]oxy}-3-hydroxy-2-propen-1-yl trihydrogen diphosphate

  • Molecular FormulaC9H12N2O12P2
  • Average mass402.145 Da
  • Monoisotopic mass401.986542 Da
  • ChemSpider ID95667135

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[(E)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyvinyl]oxy}-3-hydroxy-2-propen-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-2-{[(E)-1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyvinyl]oxy}-3-hydroxy-2-propen-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(2E)-2-[[(E)-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-2-hydroxyethenyl]oxy]-3-hydroxy-2-propen-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-2-{[(E)-1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-hydroxyvinyl]oxy}-3-hydroxy-2-propén-1-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -8.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 113.6±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

Click to predict properties on the Chemicalize site


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