ChemSpider 2D Image | 9-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate | C50H80NO8P

9-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate

  • Molecular FormulaC50H80NO8P
  • Average mass854.146 Da
  • Monoisotopic mass853.562134 Da
  • ChemSpider ID74850512

  • 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 9-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoyloxy]-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
4,7,10,13,16-Docosapentaenoic acid, 1-[[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, (4Z,7Z,10Z,13Z,16Z,4'Z,7'Z,10'Z,13'Z,16'Z)- [ACD/Index Name]
9-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoate [ACD/IUPAC Name]
9-[(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-Docosapentaenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(4Z,7Z,10Z,13Z,16Z)-4,7,10,13,16-docosapentaenoat [German] [ACD/IUPAC Name]
{2,3-bis[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2,3-bis[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]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: 826.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 453.3±37.1 °C
Index of Refraction: 1.515
Molar Refractivity: 253.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 14.55
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 173391.77
ACD/LogD (pH 7.4): 9.19
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 169498.02
Polar Surface Area: 130 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 840.6±3.0 cm3

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