ChemSpider 2D Image | 1-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-beta-L-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione | C9H16N2O18P4

1-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H16N2O18P4
  • Average mass564.121 Da
  • Monoisotopic mass563.934875 Da
  • ChemSpider ID111313126

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-ribofuranosyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(5-O-{Hydroxy[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}-β-L-ribofuranosyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[hydroxy[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]oxy]phosphinyl]-β-L-ribofuranosyl]- [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 93.3±0.3 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -6.81
ACD/LogD (pH 5.5): -14.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 136.9±3.0 dyne/cm
Molar Volume: 257.9±3.0 cm3

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