ChemSpider 2D Image | 4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-phosphono-beta-D-xylofuranosyl]-2(1H)-pyrimidinone | C9H17N3O17P4

4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-phosphono-β-D-xylofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H17N3O17P4
  • Average mass563.136 Da
  • Monoisotopic mass562.950867 Da
  • ChemSpider ID57491795

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-2-O-phosphono-β-D-xylofuranosyl]- [ACD/Index Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-phosphono-β-D-xylofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-phosphono-β-D-xylofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-O-phosphono-β-D-xylofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
23339-42-6 [RN]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 963.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.0±6.0 kJ/mol
Flash Point: 536.2±37.1 °C
Index of Refraction: 1.811
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.86
ACD/LogD (pH 5.5): -14.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 201.1±7.0 dyne/cm
Molar Volume: 214.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement