ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)-4-phosphonooxy-tetrahydropyran-2-yl] phosphono phosphate | C16H28N3O19P3

[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)-4-phosphonooxy-tetrahydropyran-2-yl] phosphono phosphate

  • Molecular FormulaC16H28N3O19P3
  • Average mass659.323 Da
  • Monoisotopic mass659.052979 Da
  • ChemSpider ID58805405

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2R,3R,4R,5R,6R)-2-(((((2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phosphonooxy)phosphoryl)oxy)-5-hydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydro-2H-pyran-4-yl dihydrogen phosphate
84283-22-7 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.43
ACD/LogD (pH 5.5): -9.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 359 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 340.9±5.0 cm3

Click to predict properties on the Chemicalize site


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