ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate | C45H76NO10P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate

  • Molecular FormulaC45H76NO10P
  • Average mass822.059 Da
  • Monoisotopic mass821.520691 Da
  • ChemSpider ID117218452

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyl-(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatétraénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(8Z,11Z,14Z)-8,11,14-icosatrienoyloxy]propyle [French] [ACD/IUPAC Name]
6,8,10,14-Eicosatetraenoic acid, 5,12-dihydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[[(8Z,11Z,14Z)-1-oxo-8,11,14-eicosatrien-1-yl]oxy]propyl ester, (5S,6Z,8E,10E,12R,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: 851.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.7±6.0 kJ/mol
Flash Point: 468.9±37.1 °C
Index of Refraction: 1.519
Molar Refractivity: 232.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 4
ACD/LogP: 11.02
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 8466.66
ACD/KOC (pH 5.5): 4386.69
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 6820.85
ACD/KOC (pH 7.4): 3533.97
Polar Surface Area: 185 Å2
Polarizability: 92.3±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 767.8±3.0 cm3

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