ChemSpider 2D Image | 6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphatritriacontan-9-yl (13Z,16Z)-13,16-docosadienoate | C50H96NO8P

6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphatritriacontan-9-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC50H96NO8P
  • Average mass870.273 Da
  • Monoisotopic mass869.687378 Da
  • ChemSpider ID74850401

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z)-13,16-Docosadiénoate de 6-hydroxy-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphatritriacontan-9-yle [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-1-[[(1-oxodocosyl)oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphatritriacontan-9-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphatritriacontan-9-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
{2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(docosanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-(docosanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:0/22:2(13Z,16Z))

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: 829.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 455.6±37.1 °C
Index of Refraction: 1.479
Molar Refractivity: 252.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.28
ACD/LogD (pH 5.5): 14.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 100.2±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 891.6±3.0 cm3

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