ChemSpider 2D Image | [(Isopropoxycarbonyl)oxy]methyl [(methoxycarbonyl)oxy]methyl ({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate | C17H26N5O10P

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

  • Molecular FormulaC17H26N5O10P
  • Average mass491.390 Da
  • Monoisotopic mass491.141724 Da
  • ChemSpider ID60958894

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 [(méthoxycarbonyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl [(methoxycarbonyl)oxy]methyl ({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl-[(methoxycarbonyl)oxy]methyl-({[1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
Carbonic acid, [[[[2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl][[(methoxycarbonyl)oxy]methoxy]phosphinyl]oxy]methyl 1-methylethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 109.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 64.53
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.75
Polar Surface Area: 195 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 324.9±7.0 cm3

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