ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) | C15H24N2O16P2S

[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

  • Molecular FormulaC15H24N2O16P2S
  • Average mass582.367 Da
  • Monoisotopic mass582.032166 Da
  • ChemSpider ID17600389

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat (no n-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(sulfanylméthyl)tétrahydro-2H-p yran-2-yle [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: 1.673
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.72
ACD/LogD (pH 5.5): -8.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 330 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 115.3±5.0 dyne/cm
Molar Volume: 303.0±5.0 cm3

Click to predict properties on the Chemicalize site


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