ChemSpider 2D Image | (2R,14R)-5,8,11-Trihydroxy-5,11-dioxido-17-oxo-2,14-bis(stearoyloxy)-4,6,10,12,16-pentaoxa-5lambda~5~,11lambda~5~-diphosphatetratriacont-1-yl (11Z)-11-octadecenoate | C81H156O17P2

(2R,14R)-5,8,11-Trihydroxy-5,11-dioxido-17-oxo-2,14-bis(stearoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-1-yl (11Z)-11-octadecenoate

  • Molecular FormulaC81H156O17P2
  • Average mass1464.043 Da
  • Monoisotopic mass1463.081787 Da
  • ChemSpider ID74855298

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(11Z)-11-Octadécénoate de (2R,14R)-5,8,11-trihydroxy-17-oxo-5,11-dioxydo-2,14-bis(stearoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatétratriacont-1-yle [French] [ACD/IUPAC Name]
(2R,14R)-5,8,11-Trihydroxy-5,11-dioxido-17-oxo-2,14-bis(stearoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-1-yl (11Z)-11-octadecenoate [ACD/IUPAC Name]
(2R,14R)-5,8,11-Trihydroxy-5,11-dioxido-17-oxo-2,14-bis(stearoyloxy)-4,6,10,12,16-pentaoxa-5λ5,11λ5-diphosphatetratriacont-1-yl-(11Z)-11-octadecenoat [German] [ACD/IUPAC Name]
11-Octadecenoic acid, (2R)-3-[[[3-[[[(2R)-2,3-bis[(1-oxooctadecyl)oxy]propoxy]hydroxyphosphinyl]oxy]-2-hydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxooctadecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
(2S)-3-{[(2R)-2,3-bis(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy)phosphinic acid
[(2S)-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-(octadecanoyloxy)propoxy]phosphinic acid
CL(18:0/18:0/18:1(11Z)/18:0)

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: 1143.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.6±6.0 kJ/mol
Flash Point: 645.4±37.1 °C
Index of Refraction: 1.481
Molar Refractivity: 409.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 3
#Freely Rotating Bonds: 85
#Rule of 5 Violations: 3
ACD/LogP: 32.10
ACD/LogD (pH 5.5): 24.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 24.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 257 Å2
Polarizability: 162.4±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 1440.5±3.0 cm3

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