Found 1 result

Search term: 117226559 (Found by CSID)
ChemSpider 2D Image | (2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl 22-methyltricosanoate | C50H89O13P

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl 22-methyltricosanoate

  • Molecular FormulaC50H89O13P
  • Average mass929.208 Da
  • Monoisotopic mass928.604065 Da
  • ChemSpider ID117226559

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl 22-methyltricosanoate [ACD/IUPAC Name]
(2R)-3-({[(2S)-2,3-Dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyl-22-methyltricosanoat [German] [ACD/IUPAC Name]
22-Méthyltricosanoate de (2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-7,9,11,13,17-icosapentaenoyl]oxy}propyle [French] [ACD/IUPAC Name]
Tricosanoic acid, 22-methyl-, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-[[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxy-1-oxo-7,9,11,13,17-eicosapentaen-1-yl]oxy]propyl ester [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: 943.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.7±6.0 kJ/mol
Flash Point: 524.4±37.1 °C
Index of Refraction: 1.514
Molar Refractivity: 256.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 4
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 1266.73
ACD/KOC (pH 5.5): 614.77
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 1071.51
ACD/KOC (pH 7.4): 520.02
Polar Surface Area: 219 Å2
Polarizability: 101.8±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 853.1±3.0 cm3

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