ChemSpider 2D Image | 2-[1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate | C9H12N3O8P

2-[1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl dihydrogen phosphate

  • Molecular FormulaC9H12N3O8P
  • Average mass321.181 Da
  • Monoisotopic mass321.036194 Da
  • ChemSpider ID64883034

More details:

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

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

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

Density: 1.8±0.1 g/cm3
Boiling Point: 568.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 297.6±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 65.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -5.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 92.0±7.0 dyne/cm
Molar Volume: 178.5±7.0 cm3

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