ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphanonacosan-9-yl (9Z)-9-octadecenoate | C42H82NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl (9Z)-9-octadecenoate

  • Molecular FormulaC42H82NO8P
  • Average mass760.076 Da
  • Monoisotopic mass759.577820 Da
  • ChemSpider ID74849844

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Octadécénoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yle [French] [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphanonacosan-9-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
[2-(methylamino)ethoxy]({2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy})phosphinic acid
2-(methylamino)ethoxy(2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid
PE-NMe(18:0/18:1(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: 760.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.9±35.7 °C
Index of Refraction: 1.475
Molar Refractivity: 215.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.55
ACD/LogD (pH 5.5): 11.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2378824.00
ACD/LogD (pH 7.4): 11.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2325432.50
Polar Surface Area: 130 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 766.0±3.0 cm3

Click to predict properties on the Chemicalize site


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