ChemSpider 2D Image | 6-Hydroxy-6-oxido-9-(tetradecanoyloxy)-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C42H74NO8P

6-Hydroxy-6-oxido-9-(tetradecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC42H74NO8P
  • Average mass752.013 Da
  • Monoisotopic mass751.515198 Da
  • ChemSpider ID74850491

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaénoate de 6-hydroxy-6-oxydo-9-(tetradecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
6-Hydroxy-6-oxido-9-(tetradecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
6-Hydroxy-6-oxido-9-(tetradecanoyloxy)-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
{3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(tetradecanoyloxy)propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(tetradecanoyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)

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: 758.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 412.7±35.7 °C
Index of Refraction: 1.495
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 13.18
ACD/LogD (pH 5.5): 9.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 149928.36
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 146562.80
Polar Surface Area: 130 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 740.4±3.0 cm3

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