ChemSpider 2D Image | (2S)-3-Hydroxy-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate | C37H62O6

(2S)-3-Hydroxy-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate

  • Molecular FormulaC37H62O6
  • Average mass602.885 Da
  • Monoisotopic mass602.454651 Da
  • ChemSpider ID117214353

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-Hydroxy-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoate [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(tetradecanoyloxy)propyl-(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxy-5,8,11,14,16-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,16E,18S)-18-Hydroxy-5,8,11,14,16-icosapentaénoate de (2S)-3-hydroxy-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
5,8,11,14,16-Eicosapentaenoic acid, 18-hydroxy-, (2S)-3-hydroxy-2-[(1-oxotetradecyl)oxy]propyl ester, (5Z,8Z,11Z,14Z,16E,18S)- [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: 681.5±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.4±6.0 kJ/mol
Flash Point: 195.9±24.7 °C
Index of Refraction: 1.503
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 10.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6594986.00
ACD/LogD (pH 7.4): 10.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6594978.50
Polar Surface Area: 93 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 610.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement