ChemSpider 2D Image | [(1S)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid | C9H16N5O10P3

[(1S)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid

  • Molecular FormulaC9H16N5O10P3
  • Average mass447.172 Da
  • Monoisotopic mass447.010986 Da
  • ChemSpider ID23317865

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

tenofovir diphosphate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 796.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 435.4±35.7 °C
Index of Refraction: 1.771
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -4.25
ACD/LogD (pH 5.5): -9.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 140.7±7.0 dyne/cm
Molar Volume: 203.1±7.0 cm3

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