ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C21H28N6O18P3

[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)-4-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC21H28N6O18P3
  • Average mass745.397 Da
  • Monoisotopic mass745.066772 Da
  • ChemSpider ID392249

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

NDO

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 10
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -8.11
ACD/LogD (pH 5.5): -9.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 384 Å2
Polarizability:
Surface Tension:
Molar Volume:

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