ChemSpider 2D Image | (3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methyltetrahydro-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 diphosphat e | C16H26N2O16P2

(3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methyltetrahydro-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 diphosphat e

  • Molecular FormulaC16H26N2O16P2
  • Average mass564.329 Da
  • Monoisotopic mass564.075745 Da
  • ChemSpider ID17229514

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methyltetrahydro-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 diphosphat e [ACD/IUPAC Name]
(3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-methyltetrahydro-2H-pyran-2-yl-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat ( non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de (3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxyméthyl)-4-méthyltétrahydro-2H-pyran-2-yle et de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-fur anyl]méthyle [French] [ACD/IUPAC Name]

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: 1.644
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.60
ACD/LogD (pH 5.5): -9.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 106.5±5.0 dyne/cm
Molar Volume: 305.1±5.0 cm3

Click to predict properties on the Chemicalize site


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