ChemSpider 2D Image | 2-[1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate | C9H11N2O9P

2-[1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate

  • Molecular FormulaC9H11N2O9P
  • Average mass322.165 Da
  • Monoisotopic mass322.020203 Da
  • ChemSpider ID64883311

More details:






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

1(2H)-Pyrimidineacetaldehyde, α-[1-formyl-2-(phosphonooxy)ethoxy]-3,4-dihydro-2,4-dioxo- [ACD/Index Name]
2-[1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate [ACD/IUPAC Name]
2-[1-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-[1-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-2-oxoéthoxy]-3-oxopropyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -5.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 191.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement