ChemSpider 2D Image | 1,4-Anhydro-2,5-dideoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-arabino-hexitol | C11H19N2O14P3

1,4-Anhydro-2,5-dideoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-arabino-hexitol

  • Molecular FormulaC11H19N2O14P3
  • Average mass496.195 Da
  • Monoisotopic mass496.004913 Da
  • ChemSpider ID23293336
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1,4-Anhydro-2,5-dideoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-arabino-hexitol [ACD/IUPAC Name]
1,4-anhydro-2,5-dideoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-arabino-hexitol
1,4-Anhydro-2,5-didesoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-arabino-hexitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,5-didésoxy-6-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-2-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-L-arabino-hexitol [French] [ACD/IUPAC Name]
L-arabino-Hexitol, 1,4-anhydro-2,5-dideoxy-2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-6-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]- [ACD/Index Name]
{[hydroxy({[hydroxy({2-[(2S,3R,4S)-3-hydroxy-4-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]ethoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -5.42
ACD/LogD (pH 5.5): -11.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 95.0±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

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