ChemSpider 2D Image | (2S)-2-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxypropyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate | C47H74O5

(2S)-2-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxypropyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate

  • Molecular FormulaC47H74O5
  • Average mass719.088 Da
  • Monoisotopic mass718.553650 Da
  • ChemSpider ID59697880

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxypropyl (7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoate [ACD/IUPAC Name]
(2S)-2-[(7E,10E,13E,16E)-7,10,13,16-Docosatetraenoyloxy]-3-hydroxypropyl-(7E,10E,13E,16E,19E)-7,10,13,16,19-docosapentaenoat [German] [ACD/IUPAC Name]
(7E,10E,13E,16E,19E)-7,10,13,16,19-Docosapentaénoate de (2S)-2-[(7E,10E,13E,16E)-7,10,13,16-docosatetraenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
7,10,13,16,19-Docosapentaenoic acid, (2S)-3-hydroxy-2-[[(7E,10E,13E,16E)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]propyl ester, (7E,10E,13E,16E,19E)- [ACD/Index Name]
(2S)-2-(docosa-7,10,13,16-tetraenoyloxy)-3-hydroxypropyl docosa-7,10,13,16,19-pentaenoate
DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 200.9±26.4 °C
Index of Refraction: 1.511
Molar Refractivity: 225.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.25
ACD/LogD (pH 5.5): 12.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 89.3±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 751.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement