Found 20 results

Search term: MF = 'C_{44}H_{79}O_{12}P'
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-octadecenoyloxy]propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate | C44H79O12P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-octadecenoyloxy]propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate

  • Molecular FormulaC44H79O12P
  • Average mass831.065 Da
  • Monoisotopic mass830.530884 Da
  • ChemSpider ID117223951

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 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-octadecenoyloxy]propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-octadecenoyloxy]propyl-(8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z)-5,6-Dihydroxy-8,11,14-icosatriénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (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: 859.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.0±6.0 kJ/mol
Flash Point: 473.6±37.1 °C
Index of Refraction: 1.509
Molar Refractivity: 227.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 4
ACD/LogP: 10.62
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 1563.66
ACD/KOC (pH 5.5): 714.80
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 1322.53
ACD/KOC (pH 7.4): 604.58
Polar Surface Area: 199 Å2
Polarizability: 90.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 762.2±3.0 cm3

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