ChemSpider 2D Image | [(2R,3S,4R)-2-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-5-oxo-pentyl] phosphono hydrogen phosphate | C16H25N2O15P2

[(2R,3S,4R)-2-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-5-oxo-pentyl] phosphono hydrogen phosphate

  • Molecular FormulaC16H25N2O15P2
  • Average mass547.321 Da
  • Monoisotopic mass547.072449 Da
  • ChemSpider ID2301413
  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -5.69
ACD/LogD (pH 5.5): -7.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability:
Surface Tension:
Molar Volume:

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