ChemSpider 2D Image | 6-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]imidazo[1,2-c]pyrimidin-5(6H)-one | C11H16N3O14P3

6-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]imidazo[1,2-c]pyrimidin-5(6H)-one

  • Molecular FormulaC11H16N3O14P3
  • Average mass507.178 Da
  • Monoisotopic mass506.984497 Da
  • ChemSpider ID2629569

More details:






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

6-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]imidazo[1,2-c]pyrimidin-5(6H)-on [German] [ACD/IUPAC Name]
6-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]imidazo[1,2-c]pyrimidin-5(6H)-one [ACD/IUPAC Name]
6-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]imidazo[1,2-c]pyrimidin-5(6H)-one [French] [ACD/IUPAC Name]
Imidazo[1,2-c]pyrimidin-5(6H)-one, 6-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]- [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 936.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.2±37.1 °C
Index of Refraction: 1.816
Molar Refractivity: 91.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.83
ACD/LogD (pH 5.5): -11.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 164.0±7.0 dyne/cm
Molar Volume: 210.4±7.0 cm3

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