ChemSpider 2D Image | (2R,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate | C18H28N2O17P2

(2R,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate

  • Molecular FormulaC18H28N2O17P2
  • Average mass606.366 Da
  • Monoisotopic mass606.086304 Da
  • ChemSpider ID26329241

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendi phosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxyméthyl)-3-(2-oxopropyl)tétrahydro-2H-pyran-2-yle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrah ydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
[[(2r,3s,4r,5r)-5-[2,4-Bis(Oxidanylidene)pyrimidin-1-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] [(2r,3r,4r,5r,6r)-6-(Hydroxymethyl)-4,5-Bis(Oxidanyl)-3-(2-Oxidanylidenepropyl)oxan-2-Yl]hydrogen Phosphate
UD6

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 119.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.59
ACD/LogD (pH 5.5): -9.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 308 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 103.6±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

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