ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C42H78NO8P

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

  • Molecular FormulaC42H78NO8P
  • Average mass756.044 Da
  • Monoisotopic mass755.546509 Da
  • ChemSpider ID74850070

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 6-hydroxy-6-oxydo-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(stearoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
[2-(methylamino)ethoxy]({3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propoxy})phosphinic acid
2-(methylamino)ethoxy(3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propoxy)phosphinic acid
PE-NMe(18:3(6Z,9Z,12Z)/18:0)

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: 759.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 413.3±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 215.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.42
ACD/LogD (pH 5.5): 10.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 479811.66
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 469042.50
Polar Surface Area: 130 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 753.2±3.0 cm3

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