ChemSpider 2D Image | 2-Methyl-2-propanyl {(2R,3S,4E)-1-[(dimethoxyphosphoryl)oxy]-3-hydroxy-4-octadecen-2-yl}carbamate | C25H50NO7P

2-Methyl-2-propanyl {(2R,3S,4E)-1-[(dimethoxyphosphoryl)oxy]-3-hydroxy-4-octadecen-2-yl}carbamate

  • Molecular FormulaC25H50NO7P
  • Average mass507.641 Da
  • Monoisotopic mass507.332489 Da
  • ChemSpider ID107448261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2R,3S,4E)-1-[(Diméthoxyphosphoryl)oxy]-3-hydroxy-4-octadécén-2-yl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2R,3S,4E)-1-[(dimethoxyphosphoryl)oxy]-3-hydroxy-4-octadecen-2-yl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2R,3S,4E)-1-[(dimethoxyphosphoryl)oxy]-3-hydroxy-4-octadecen-2-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,2S,3E)-1-[[(dimethoxyphosphinyl)oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
312933-38-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 312.1±30.1 °C
Index of Refraction: 1.472
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 7.62
ACD/BCF (pH 5.5): 365709.38
ACD/KOC (pH 5.5): 333937.69
ACD/LogD (pH 7.4): 7.62
ACD/BCF (pH 7.4): 365619.44
ACD/KOC (pH 7.4): 333855.56
Polar Surface Area: 113 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

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