ChemSpider 2D Image | 9-[(13Z)-13-Docosenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (15Z)-15-tetracosenoate | C52H100NO8P

9-[(13Z)-13-Docosenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (15Z)-15-tetracosenoate

  • Molecular FormulaC52H100NO8P
  • Average mass898.326 Da
  • Monoisotopic mass897.718628 Da
  • ChemSpider ID74850620

  • Double-bond stereo - Double-bond stereo

More details:

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

(15Z)-15-Tétracosénoate de 9-[(13Z)-13-docosenoyloxy]-6-hydroxy-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
15-Tetracosenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(13Z)-1-oxo-13-docosen-1-yl]oxy]propyl ester, (15Z)- [ACD/Index Name]
9-[(13Z)-13-Docosenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
9-[(13Z)-13-Docosenoyloxy]-6-hydroxy-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
{2-[(13Z)-docos-13-enoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
2-[(13Z)-docos-13-enoyloxy]-3-[(15Z)-tetracos-15-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(24:1(15Z)/22:1(13Z))

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: 846.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 133.6±6.0 kJ/mol
Flash Point: 465.7±37.1 °C
Index of Refraction: 1.479
Molar Refractivity: 262.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 20.34
ACD/LogD (pH 5.5): 14.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 103.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 924.7±3.0 cm3

Click to predict properties on the Chemicalize site


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