ChemSpider 2D Image | (2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatetraenoyl]oxy}-3-(phosphonooxy)propyl 22-methyltetracosanoate | C48H87O10P

(2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatetraenoyl]oxy}-3-(phosphonooxy)propyl 22-methyltetracosanoate

  • Molecular FormulaC48H87O10P
  • Average mass855.172 Da
  • Monoisotopic mass854.603699 Da
  • ChemSpider ID117222527

  • 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)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatetraenoyl]oxy}-3-(phosphonooxy)propyl 22-methyltetracosanoate [ACD/IUPAC Name]
(2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-Dihydroxy-8,11,14,17-icosatetraenoyl]oxy}-3-(phosphonooxy)propyl-22-methyltetracosanoat [German] [ACD/IUPAC Name]
22-Méthyltétracosanoate de (2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-8,11,14,17-icosatetraenoyl]oxy}-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
Tetracosanoic acid, 22-methyl-, (2R)-2-[[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxy-1-oxo-8,11,14,17-eicosatetraen-1-yl]oxy]-3-(phosphonooxy)propyl 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: 863.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.5±6.0 kJ/mol
Flash Point: 475.8±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: 14.74
ACD/LogD (pH 5.5): 8.12
ACD/BCF (pH 5.5): 135668.11
ACD/KOC (pH 5.5): 18123.48
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 15964.33
ACD/KOC (pH 7.4): 2132.63
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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