ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate | C46H77O10P

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

  • Molecular FormulaC46H77O10P
  • Average mass821.071 Da
  • Monoisotopic mass820.525452 Da
  • ChemSpider ID74878306

  • 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-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl (8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl-(8Z,11Z,14Z,17Z)-8,11,14,17-icosatetraenoat [German] [ACD/IUPAC Name]
(8Z,11Z,14Z,17Z)-8,11,14,17-Icosatétraénoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
8,11,14,17-Eicosatetraenoic acid, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propyl ester, (8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-2,3-dihydroxypropoxy((2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphinic acid
[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid

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: 1.1±0.1 g/cm3
Boiling Point: 828.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 454.6±37.1 °C
Index of Refraction: 1.512
Molar Refractivity: 234.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 13.29
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 17911.65
ACD/KOC (pH 5.5): 4094.51
ACD/LogD (pH 7.4): 6.91
ACD/BCF (pH 7.4): 15149.74
ACD/KOC (pH 7.4): 3463.16
Polar Surface Area: 159 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 780.3±3.0 cm3

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