ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate | C40H74NO10P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate

  • Molecular FormulaC40H74NO10P
  • Average mass759.990 Da
  • Monoisotopic mass759.505005 Da
  • ChemSpider ID117217259

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 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-(pentadecanoyloxy)propyl (8Z,11Z,14Z)-5,6-dihydroxy-8,11,14-icosatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)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-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(pentadecanoyloxy)propyle [French] [ACD/IUPAC Name]
8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxopentadecyl)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: 798.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.3±6.0 kJ/mol
Flash Point: 436.7±35.7 °C
Index of Refraction: 1.501
Molar Refractivity: 209.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 4
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 16610.30
ACD/KOC (pH 5.5): 7105.97
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 13381.55
ACD/KOC (pH 7.4): 5724.70
Polar Surface Area: 185 Å2
Polarizability: 83.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 710.8±3.0 cm3

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