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Search term: USAZACJQJDHAJH-KDEXOMDGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(2R,3S,4R,5S)-5-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e | C15H24N2O17P2

[(2R,3S,4R,5S)-5-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e

  • Molecular FormulaC15H24N2O17P2
  • Average mass566.302 Da
  • Monoisotopic mass566.054993 Da
  • ChemSpider ID26398938

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5S)-5-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphat e [ACD/IUPAC Name]
[(2R,3S,4R,5S)-5-(2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogendiphosphat ( non-preferred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3S,4R,5S)-5-(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H -pyran-2-yle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.81
ACD/LogD (pH 5.5): -9.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 320 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 122.3±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

Click to predict properties on the Chemicalize site


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