ChemSpider 2D Image | [(Isopropoxycarbonyl)oxy]methyl methyl ({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate | C15H24N5O7P

[(Isopropoxycarbonyl)oxy]methyl methyl ({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate

  • Molecular FormulaC15H24N5O7P
  • Average mass417.354 Da
  • Monoisotopic mass417.141327 Da
  • ChemSpider ID50645122

More details:

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

({[1-(6-Amino-9H-purin-9-yl)-2-propanyl]oxy}méthyl)phosphonate de [(isopropoxycarbonyl)oxy]méthyle et de méthyle [French] [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl methyl ({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl-methyl-({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
1246812-16-7 [RN]
Carbonic acid, [[[[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]methoxyphosphinyl]oxy]methyl 1-methylethyl ester [ACD/Index Name]
Mono-POC Methyl Tenofovir (Mixture of Diastereomers)
Mono-POC Methyl Tenofovir (Mixture of Diastereomers)
Mono-poc methyl tenofovir(mixture of diastereomers)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 580.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.0±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 61.28
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 2.46
ACD/KOC (pH 7.4): 66.29
Polar Surface Area: 160 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 282.6±7.0 cm3

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