ChemSpider 2D Image | Ethyl (2R,5Z,9E)-2-(diethoxyphosphoryl)-11-[(diisopropylcarbamoyl)oxy]-6-methyl-5,9-undecadienoate | C25H46NO7P

Ethyl (2R,5Z,9E)-2-(diethoxyphosphoryl)-11-[(diisopropylcarbamoyl)oxy]-6-methyl-5,9-undecadienoate

  • Molecular FormulaC25H46NO7P
  • Average mass503.609 Da
  • Monoisotopic mass503.301178 Da
  • ChemSpider ID62600095

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R,5Z,9E)-2-(Diéthoxyphosphoryl)-11-[(diisopropylcarbamoyl)oxy]-6-méthyl-5,9-undécadiénoate d'éthyle [French] [ACD/IUPAC Name]
5,9-Undecadienoic acid, 11-[[[bis(1-methylethyl)amino]carbonyl]oxy]-2-(diethoxyphosphinyl)-6-methyl-, ethyl ester, (2R,5Z,9E)- [ACD/Index Name]
Ethyl (2R,5Z,9E)-2-(diethoxyphosphoryl)-11-[(diisopropylcarbamoyl)oxy]-6-methyl-5,9-undecadienoate [ACD/IUPAC Name]
Ethyl-(2R,5Z,9E)-2-(diethoxyphosphoryl)-11-[(diisopropylcarbamoyl)oxy]-6-methyl-5,9-undecadienoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.475
Molar Refractivity: 135.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11138.08
ACD/KOC (pH 5.5): 27434.42
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11138.08
ACD/KOC (pH 7.4): 27434.42
Polar Surface Area: 101 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 480.5±3.0 cm3

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