ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl (11Z)-11-icosenoate | C40H75O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl (11Z)-11-icosenoate

  • Molecular FormulaC40H75O10P
  • Average mass746.991 Da
  • Monoisotopic mass746.509766 Da
  • ChemSpider ID113377236

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(11Z)-11-Icosénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester, (11Z)- [ACD/Index Name]
1-(11Z-eicosenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(14:1_20:1)
PG(20:1(11Z)/14:1(9Z))
PG(34:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 778.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.2±6.0 kJ/mol
Flash Point: 424.7±35.7 °C
Index of Refraction: 1.489
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.06
ACD/LogD (pH 5.5): 6.90
ACD/BCF (pH 5.5): 15544.25
ACD/KOC (pH 5.5): 3699.51
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 13146.36
ACD/KOC (pH 7.4): 3128.81
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 713.1±3.0 cm3

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