ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl icosanoate | C40H77O10P

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

  • Molecular FormulaC40H77O10P
  • Average mass749.007 Da
  • Monoisotopic mass748.525452 Da
  • ChemSpider ID113377216

  • 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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl icosanoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyl-icosanoat [German] [ACD/IUPAC Name]
Eicosanoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propyl ester [ACD/Index Name]
Icosanoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-tetradecenoyloxy]propyle [French] [ACD/IUPAC Name]
1-eicosanoyl-2-(9Z-tetradecenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(14:1_20:0)
PG(20:0/14:1(9Z))
PG(34:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 778.9±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: 424.9±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 205.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.57
ACD/LogD (pH 5.5): 8.05
ACD/BCF (pH 5.5): 115604.93
ACD/KOC (pH 5.5): 15555.62
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 97771.43
ACD/KOC (pH 7.4): 13155.97
Polar Surface Area: 159 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 719.5±3.0 cm3

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