ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3-[[(2r,3s,4r,5r)-5-(2-Azanyl-6-Oxidanylidene-3h-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-4-Oxidanyl-Oxolan-2-Yl]methoxy-[[oxidanyl(Phosphonooxy)phosphoryl]methyl]phosphinic Acid | C21H30N10O19P4

[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3-[[(2r,3s,4r,5r)-5-(2-Azanyl-6-Oxidanylidene-3h-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-4-Oxidanyl-Oxolan-2-Yl]methoxy-[[oxidanyl(Phosphonooxy)phosphoryl]methyl]phosphinic Acid

  • Molecular FormulaC21H30N10O19P4
  • Average mass850.414 Da
  • Monoisotopic mass850.063904 Da
  • ChemSpider ID35035094

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2r,3s,4r,5r)-5-(6-Aminopurin-9-Yl)-3-[[(2r,3s,4r,5r)-5-(2-Azanyl-6-Oxidanylidene-3h-Purin-9-Yl)-3,4-Bis(Oxidanyl)oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl]oxy-4-Oxidanyl-Oxolan-2-Yl]methoxy-[[oxidanyl(Phosphonooxy)phosphoryl]methyl]phosphinic Acid
38V

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1352.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 213.9±3.0 kJ/mol
Flash Point: 771.5±37.1 °C
Index of Refraction: 1.979
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 29
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.27
ACD/LogD (pH 5.5): -13.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -14.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 480 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 191.8±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

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