ChemSpider 2D Image | 1-(5-{[(1,2-Dihydroxy-1,2-dioxido-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1lambda~5~,2lambda~5~-diphosphan-1-yl)oxy]methyl}-3,4-dihydroxytetrahydro-2-furanyl)-2,4(1H,3H)-py rimidinedione | C15H24N2O16P2

1-(5-{[(1,2-Dihydroxy-1,2-dioxido-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1λ5,2λ5-diphosphan-1-yl)oxy]methyl}-3,4-dihydroxytetrahydro-2-furanyl)-2,4(1H,3H)-py rimidinedione

  • Molecular FormulaC15H24N2O16P2
  • Average mass550.302 Da
  • Monoisotopic mass550.060120 Da
  • ChemSpider ID3653193

More details:

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

1-(5-{[(1,2-Dihydroxy-1,2-dioxido-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1λ5,2λ5-diphosphan-1-yl)oxy]methyl}-3,4-dihydroxytetrahydro-2-furanyl)-2,4(1H,3H)-py rimidindion [German] [ACD/IUPAC Name]
1-(5-{[(1,2-Dihydroxy-1,2-dioxido-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1λ5,2λ5-diphosphan-1-yl)oxy]methyl}-3,4-dihydroxytetrahydro-2-furanyl)-2,4(1H,3H)-py rimidinedione [ACD/IUPAC Name]
1-(5-{[(1,2-Dihydroxy-1,2-dioxydo-2-{[3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-1λ5,2λ5-diphosphan-1-yl)oxy]méthyl}-3,4-dihydroxytétrahydro-2-furanyl)-2,4(1H,3H)-py rimidinedione [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.677
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.96
ACD/LogD (pH 5.5): -10.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 124.8±5.0 dyne/cm
Molar Volume: 280.3±5.0 cm3

Click to predict properties on the Chemicalize site


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