ChemSpider 2D Image | 9-[(13Z,16Z)-13,16-Docosadienoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate | C50H86NO8P

9-[(13Z,16Z)-13,16-Docosadienoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC50H86NO8P
  • Average mass860.193 Da
  • Monoisotopic mass859.609131 Da
  • ChemSpider ID74850538

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-Docosapentaénoate de 9-[(13Z,16Z)-13,16-docosadienoyloxy]-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(13Z,16Z)-1-oxo-13,16-docosadien-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
9-[(13Z,16Z)-13,16-Docosadienoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
9-[(13Z,16Z)-13,16-Docosadienoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(7Z,10Z,13Z,16Z,19Z)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
{2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-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: 827.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 454.1±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 253.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 16.20
ACD/LogD (pH 5.5): 10.04
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 498519.22
ACD/LogD (pH 7.4): 10.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 487330.16
Polar Surface Area: 130 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 859.7±3.0 cm3

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