ChemSpider 2D Image | 3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11E)-11-octadecenoyloxy]propyl (11E)-11-octadecenoate | C42H79O10P

3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11E)-11-octadecenoyloxy]propyl (11E)-11-octadecenoate

  • Molecular FormulaC42H79O10P
  • Average mass775.044 Da
  • Monoisotopic mass774.541077 Da
  • ChemSpider ID7826078

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(11E)-11-Octadécénoate de 3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11E)-11-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
11-Octadecenoic acid, 1-[[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (11E,11'E)- [ACD/Index Name]
3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11E)-11-octadecenoyloxy]propyl (11E)-11-octadecenoate [ACD/IUPAC Name]
3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11E)-11-octadecenoyloxy]propyl-(11E)-11-octadecenoat [German] [ACD/IUPAC Name]
1,2-di-(11E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
11-Octadecenoic acid, 1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester
11-Octadecenoic acid, 3-hydroxypropylene ester hydrogen 2,3-dihydroxypropyl phosphate
GPGro(18:1(11E)/18:1(11E))[U]

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

LMGP04010034 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 795.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±6.0 kJ/mol
Flash Point: 435.1±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 215.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 14.12
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 52236.74
ACD/KOC (pH 5.5): 8809.26
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 44178.57
ACD/KOC (pH 7.4): 7450.33
Polar Surface Area: 159 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 746.2±3.0 cm3

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