ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (9Z)-9-hexadecenoate | C38H74NO8P

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

  • Molecular FormulaC38H74NO8P
  • Average mass703.970 Da
  • Monoisotopic mass703.515198 Da
  • ChemSpider ID74849937

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-Hexadécénoate 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)-9-hexadecenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(palmitoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[(1-oxohexadecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
{3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(16:1(9Z)/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: 724.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.475
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.42
ACD/LogD (pH 5.5): 9.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 238461.38
ACD/LogD (pH 7.4): 9.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 233109.20
Polar Surface Area: 130 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 699.9±3.0 cm3

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