ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(dodecanoyloxy)propyl (11Z)-11-icosenoate | C38H73O10P

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

  • Molecular FormulaC38H73O10P
  • Average mass720.954 Da
  • Monoisotopic mass720.494141 Da
  • ChemSpider ID113377233

  • 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-(dodecanoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(dodecanoyloxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(dodecanoyloxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(1-oxododecyl)oxy]propyl ester, (11Z)- [ACD/Index Name]
1-(11Z-eicosenoyl)-2-dodecanoyl-glycero-3-phospho-(1'-sn-glycerol)
PG(12:0_20:1)
PG(20:1(11Z)/12:0)
PG(32:1)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 761.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 414.3±35.7 °C
Index of Refraction: 1.485
Molar Refractivity: 196.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 3
ACD/LogP: 12.51
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 53136.66
ACD/KOC (pH 5.5): 8917.65
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 44939.57
ACD/KOC (pH 7.4): 7541.97
Polar Surface Area: 159 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 686.5±3.0 cm3

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