ChemSpider 2D Image | [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph
ate | C15H24N2O16P2S

[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph ate

  • Molecular FormulaC15H24N2O16P2S
  • Average mass582.367 Da
  • Monoisotopic mass582.032166 Da
  • ChemSpider ID23282984
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosph ate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl-(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro- 2H-pyran-2-yle [French] [ACD/IUPAC Name]
CHEMBL228111
diphosphoric acid 1-α-D-glucopyranosyl ester 2-((2'thio)uridin-5''-yl) ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.13
ACD/LogD (pH 5.5): -9.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 326 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 132.4±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

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