ChemSpider 2D Image | (2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl 22-methyltetracosanoate | C48H87O10P

(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl 22-methyltetracosanoate

  • Molecular FormulaC48H87O10P
  • Average mass855.172 Da
  • Monoisotopic mass854.603699 Da
  • ChemSpider ID117222498

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl 22-methyltetracosanoate [ACD/IUPAC Name]
(2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyl-22-methyltetracosanoat [German] [ACD/IUPAC Name]
22-Méthyltétracosanoate de (2R)-1-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-6,8,10,14-icosatetraenoyl]oxy}-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 22-methyl-, (1R)-2-[[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-1-oxo-6,8,10,14-eicosatetraen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [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: 875.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.5±6.0 kJ/mol
Flash Point: 483.1±37.1 °C
Index of Refraction: 1.501
Molar Refractivity: 242.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 3
ACD/LogP: 15.17
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 77393.47
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 121298.42
ACD/KOC (pH 7.4): 9106.58
Polar Surface Area: 170 Å2
Polarizability: 96.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 824.3±3.0 cm3

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