Found 23 results

Search term: MF = 'C_{46}H_{81}O_{10}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate | C46H81O10P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate

  • Molecular FormulaC46H81O10P
  • Average mass825.103 Da
  • Monoisotopic mass824.556763 Da
  • ChemSpider ID74878297

  • 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-[(11Z)-11-icosenoyloxy]propyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z)-11-icosenoyloxy]propyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(11Z)-11-icosenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(11Z-eicosenoyl)-glycero-3-phospho-(1'-sn-glycerol)
PG(20:1_20:4)
PG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))
PG(40:5)

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: 828.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.0±6.0 kJ/mol
Flash Point: 454.9±37.1 °C
Index of Refraction: 1.502
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 14.49
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 140075.55
ACD/KOC (pH 5.5): 17847.21
ACD/LogD (pH 7.4): 8.08
ACD/BCF (pH 7.4): 118470.91
ACD/KOC (pH 7.4): 15094.53
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 793.0±3.0 cm3

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