ChemSpider 2D Image | 9-[(9Z)-9-Hexadecenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (11Z)-11-octadecenoate | C40H76NO8P

9-[(9Z)-9-Hexadecenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z)-11-octadecenoate

  • Molecular FormulaC40H76NO8P
  • Average mass730.007 Da
  • Monoisotopic mass729.530884 Da
  • ChemSpider ID74849987

  • Double-bond stereo - Double-bond stereo

More details:

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

(11Z)-11-Octadécénoate de 9-[(9Z)-9-hexadecenoyloxy]-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
9-[(9Z)-9-Hexadecenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
9-[(9Z)-9-Hexadecenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
{2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:1(11Z)/16:1(9Z))

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: 742.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.480
Molar Refractivity: 206.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 13.96
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 621857.88
ACD/KOC (pH 5.5): 95088.49
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 607900.56
ACD/KOC (pH 7.4): 92954.27
Polar Surface Area: 130 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 726.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement