ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate | C40H76NO8P

6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate

  • Molecular FormulaC40H76NO8P
  • Average mass730.007 Da
  • Monoisotopic mass729.530884 Da
  • ChemSpider ID74850040

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z,12Z)-9,12-Octadécadiénoate de 6-hydroxy-6-oxydo-9-(palmitoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
[2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid
2-(hexadecanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(18:2(9Z,12Z)/16:0)

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: 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): 9.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 425994.09
ACD/LogD (pH 7.4): 9.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 416432.84
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


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