ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate | C45H84NO9P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate

  • Molecular FormulaC45H84NO9P
  • Average mass814.123 Da
  • Monoisotopic mass813.588379 Da
  • ChemSpider ID117218162
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-(6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(6E,8E,11E)-5-Hydroxy-6,8,11-icosatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
6,8,11-Eicosatrienoic acid, 5-hydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoeicosyl)oxy]propyl ester, (6E,8E,11E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 822.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.1±6.0 kJ/mol
Flash Point: 451.4±37.1 °C
Index of Refraction: 1.493
Molar Refractivity: 231.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 14.92
ACD/LogD (pH 5.5): 10.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 811533.63
ACD/LogD (pH 7.4): 10.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 653783.56
Polar Surface Area: 164 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 795.5±3.0 cm3

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