ChemSpider 2D Image | 9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate | C50H84NO8P

9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate

  • Molecular FormulaC50H84NO8P
  • Average mass858.178 Da
  • Monoisotopic mass857.593445 Da
  • ChemSpider ID74850486

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de 9-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
7,10,13,16-Docosatetraenoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, (7Z,10Z,13Z,16Z,7'Z,10'Z,13'Z,16'Z)- [ACD/Index Name]
9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
9-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
{2,3-bis[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2,3-bis[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid

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: 826.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.5±6.0 kJ/mol
Flash Point: 453.9±37.1 °C
Index of Refraction: 1.505
Molar Refractivity: 253.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 15.52
ACD/LogD (pH 5.5): 9.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 471633.34
ACD/LogD (pH 7.4): 9.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 461047.72
Polar Surface Area: 130 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 853.3±3.0 cm3

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