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

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

  • Molecular FormulaC17H26N5O10P
  • Average mass491.390 Da
  • Monoisotopic mass491.141724 Da
  • ChemSpider ID62876413

  • defined stereocentres - 1 of 2 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 [(isopropoxycarbonyl)oxy]méthyle et de [(méthoxycarbonyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl [(methoxycarbonyl)oxy]methyl ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate [ACD/IUPAC Name]
[(Isopropoxycarbonyl)oxy]methyl-[(methoxycarbonyl)oxy]methyl-({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonat [German] [ACD/IUPAC Name]
1246812-43-0 [RN]
2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, 1-methyl 9-(1-methylethyl) ester, 5-oxide
Carbonic acid, [[[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl][[(methoxycarbonyl)oxy]methoxy]phosphinyl]oxy]methyl 1-methylethyl ester [ACD/Index Name]
(((((1-(6-aMino-9H-purin-9-yl)propan-2-yl)oxy)Methyl)phosphoryl)bis(oxy))bis(Methylene) isopropyl Me
Unii-9Q091VD8H6

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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