ChemSpider 2D Image | [(1R,2R,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butyl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono phosphate | C17H27N3O17P2

[(1R,2R,3R)-1-[(1R)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butyl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono phosphate

  • Molecular FormulaC17H27N3O17P2
  • Average mass607.354 Da
  • Monoisotopic mass607.081543 Da
  • ChemSpider ID24828824
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -4.67
ACD/LogD (pH 5.5): -9.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 328 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 99.4±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

Click to predict properties on the Chemicalize site






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