ChemSpider 2D Image | 9-[(13Z)-13-Docosenoyloxy]-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 | C50H88NO8P

9-[(13Z)-13-Docosenoyloxy]-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 FormulaC50H88NO8P
  • Average mass862.209 Da
  • Monoisotopic mass861.624756 Da
  • ChemSpider ID74850509

  • 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-[(13Z)-13-docosenoyloxy]-6-hydroxy-6-oxydo-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-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z)- [ACD/Index Name]
9-[(13Z)-13-Docosenoyloxy]-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-[(13Z)-13-Docosenoyloxy]-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-[(13Z)-docos-13-enoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(13Z)-docos-13-enoyloxy]-3-[(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: 827.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 454.4±37.1 °C
Index of Refraction: 1.496
Molar Refractivity: 253.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 16.91
ACD/LogD (pH 5.5): 11.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2783987.75
ACD/LogD (pH 7.4): 11.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2721493.50
Polar Surface Area: 130 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 866.1±3.0 cm3

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