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Search term: 117219105 (Found by CSID)
ChemSpider 2D Image | (2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate | C37H67O9P

(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate

  • Molecular FormulaC37H67O9P
  • Average mass686.896 Da
  • Monoisotopic mass686.452271 Da
  • ChemSpider ID117219105

  • 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-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (6E,8E,11E)-5-hydroxy-6,8,11-icosatrienoate [ACD/IUPAC Name]
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)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-(phosphonooxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
6,8,11-Eicosatrienoic acid, 5-hydroxy-, (2R)-2-[(1-oxotetradecyl)oxy]-3-(phosphonooxy)propyl ester, (6E,8E,11E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 757.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 411.7±35.7 °C
Index of Refraction: 1.497
Molar Refractivity: 190.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 11.70
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 25706.54
ACD/KOC (pH 5.5): 5510.35
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 3024.76
ACD/KOC (pH 7.4): 648.38
Polar Surface Area: 149 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 650.9±3.0 cm3

Click to predict properties on the Chemicalize site


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