ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate | C42H78NO8P

6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC42H78NO8P
  • Average mass756.044 Da
  • Monoisotopic mass755.546509 Da
  • ChemSpider ID74850435

  • 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-6-oxydo-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (13Z,16Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-[(9Z)-9-tetradecenoyloxy]-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
{3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:2(13Z,16Z)/14:1(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: 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: 14.51
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 731273.69
ACD/KOC (pH 5.5): 106785.55
ACD/LogD (pH 7.4): 8.80
ACD/BCF (pH 7.4): 714860.56
ACD/KOC (pH 7.4): 104388.79
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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