Found 45 results

Search term: MF = 'C_{46}H_{79}O_{10}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C46H79O10P

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

  • Molecular FormulaC46H79O10P
  • Average mass823.087 Da
  • Monoisotopic mass822.541077 Da
  • ChemSpider ID74878292

  • 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-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid
PG(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z))

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: 828.3±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: 454.7±37.1 °C
Index of Refraction: 1.507
Molar Refractivity: 233.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 13.97
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 104393.84
ACD/KOC (pH 5.5): 14460.14
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 88292.98
ACD/KOC (pH 7.4): 12229.92
Polar Surface Area: 159 Å2
Polarizability: 92.7±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 786.6±3.0 cm3

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