ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate | C35H67O8P

(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate

  • Molecular FormulaC35H67O8P
  • Average mass646.875 Da
  • Monoisotopic mass646.457336 Da
  • ChemSpider ID74876655

  • 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

(11Z)-11-Octadécénoate de (2R)-3-(phosphonooxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2R)-2-[(1-oxotetradecyl)oxy]-3-(phosphonooxy)propyl ester, (11Z)- [ACD/Index Name]
(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(tetradecanoyloxy)propoxyphosphonic acid
[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(tetradecanoyloxy)propoxy]phosphonic acid
PA(18:1(11Z)/14:0)

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 706.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 202282.70
ACD/KOC (pH 5.5): 24126.64
ACD/LogD (pH 7.4): 7.42
ACD/BCF (pH 7.4): 23800.54
ACD/KOC (pH 7.4): 2838.73
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 632.7±3.0 cm3

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