ChemSpider 2D Image | (2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate | C39H64O5

(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate

  • Molecular FormulaC39H64O5
  • Average mass612.922 Da
  • Monoisotopic mass612.475403 Da
  • ChemSpider ID24766249

  • 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-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoate [ACD/IUPAC Name]
(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapentaénoate de (2S)-2-[(9Z)-9-hexadecenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
5,8,11,14,17-Eicosapentaenoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z,14Z,17Z)- [ACD/Index Name]
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Eicosapentaenoyl-2-palmitoleoyl-sn-glycerol
DAG(20:5/16:1)
DAG(20:5n3/16:1n7)
DAG(20:5w3/16:1w7)
DAG(36:6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 188.0±25.0 °C
Index of Refraction: 1.501
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 12.99
ACD/LogD (pH 5.5): 10.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 638.8±3.0 cm3

Click to predict properties on the Chemicalize site


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