ChemSpider 2D Image | Tenofovir disoproxil | C19H30N5O10P

Tenofovir disoproxil

  • Molecular FormulaC19H30N5O10P
  • Average mass519.443 Da
  • Monoisotopic mass519.173035 Da
  • ChemSpider ID4587262
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({[(2R)-1-(6-Amino-9H-purin-9-yl)-2-propanyl]oxy}méthyl)phosphonate de bis{[(isopropoxycarbonyl)oxy]méthyle} [French] [ACD/IUPAC Name]
(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)
201341-05-1 [RN]
Bis(((isopropoxycarbonyl)oxy)methyl) (((1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy)methyl)phosphonate
bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate
Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate
Bis{[(isopropoxycarbonyl)oxy]methyl} {[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethyl]oxy}methylphosphonate
Bis{[(isopropoxycarbonyl)oxy]methyl}-({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
Carbonic acid, [[[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl][[[(1-methylethoxy)carbonyl]oxy]methoxy]phosphinyl]oxy]methyl 1-methylethyl ester [ACD/Index Name]

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

CHEBI:63717 [DBID]
AIDS080741 [DBID]
AIDS-080741 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      An organic phosphonate that is the disoproxil ester of tenofovir. A prodrug for tenofovir, an HIV-1 reverse transcriptase inhibitor, tenofovir disoproxil is used as the fumaric acid salt in combinatio n therapy for the treatment of HIV infection. ChEBI CHEBI:63717

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

Density: 1.5±0.1 g/cm3
Boiling Point: 642.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.5±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 146.94
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.34
ACD/KOC (pH 7.4): 158.82
Polar Surface Area: 195 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 356.1±7.0 cm3

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