Found 28 results

Search term: MF = 'C_{45}H_{79}O_{11}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(17-methyloctadecanoyl)oxy]propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate | C45H79O11P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(17-methyloctadecanoyl)oxy]propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate

  • Molecular FormulaC45H79O11P
  • Average mass827.076 Da
  • Monoisotopic mass826.536011 Da
  • ChemSpider ID117226193

  • 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-[(17-methyloctadecanoyl)oxy]propyl (6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(17-methyloctadecanoyl)oxy]propyl-(6E,8Z,11Z,14Z)-5-oxo-6,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(6E,8Z,11Z,14Z)-5-Oxo-6,8,11,14-icosatétraénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(17-méthyloctadecanoyl)oxy]propyle [French] [ACD/IUPAC Name]
6,8,11,14-Eicosatetraenoic acid, 5-oxo-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[(17-methyl-1-oxooctadecyl)oxy]propyl ester, (6E,8Z,11Z,14Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 851.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.6±6.0 kJ/mol
Flash Point: 468.6±37.1 °C
Index of Refraction: 1.499
Molar Refractivity: 229.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 12.53
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 6856.29
ACD/KOC (pH 5.5): 2059.13
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 5799.13
ACD/KOC (pH 7.4): 1741.64
Polar Surface Area: 176 Å2
Polarizability: 90.9±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 780.4±3.0 cm3

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