ChemSpider 2D Image | 6-Hydroxy-9-[(11Z)-11-icosenoyloxy]-6-oxido-5,7-dioxa-2-aza-6lambda~5~-phosphadecan-10-yl (13Z)-13-docosenoate | C48H92NO8P

6-Hydroxy-9-[(11Z)-11-icosenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z)-13-docosenoate

  • Molecular FormulaC48H92NO8P
  • Average mass842.220 Da
  • Monoisotopic mass841.656067 Da
  • ChemSpider ID74850419
  • Double-bond stereo - Double-bond stereo


More details:






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

(13Z)-13-Docosénoate de 6-hydroxy-9-[(11Z)-11-icosenoyloxy]-6-oxydo-5,7-dioxa-2-aza-6λ5-phosphadécan-10-yle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 3-[[hydroxy[2-(methylamino)ethoxy]phosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
6-Hydroxy-9-[(11Z)-11-icosenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl (13Z)-13-docosenoate [ACD/IUPAC Name]
6-Hydroxy-9-[(11Z)-11-icosenoyloxy]-6-oxido-5,7-dioxa-2-aza-6λ5-phosphadecan-10-yl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
{3-[(13Z)-docos-13-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propoxy}[2-(methylamino)ethoxy]phosphinic acid
3-[(13Z)-docos-13-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propoxy(2-(methylamino)ethoxy)phosphinic acid
PE-NMe(22:1(13Z)/20:1(11Z))

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 812.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 445.4±37.1 °C
Index of Refraction: 1.479
Molar Refractivity: 243.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 18.22
ACD/LogD (pH 5.5): 12.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 130 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 858.6±3.0 cm3

Click to predict properties on the Chemicalize site






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