ChemSpider 2D Image | DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2] | C39H66O5

DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]

  • Molecular FormulaC39H66O5
  • Average mass614.938 Da
  • Monoisotopic mass614.491028 Da
  • ChemSpider ID7822693

  • 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

DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (2S)-1-[(9Z)-9-hexadecenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
DG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
1-Palmitoleoyl-2-arachidonoyl-sn-glycerol
DAG(16:1/20:4)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL02010077 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±6.0 kJ/mol
Flash Point: 187.6±25.0 °C
Index of Refraction: 1.495
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 13.67
ACD/LogD (pH 5.5): 11.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.60
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: 36.3±3.0 dyne/cm
Molar Volume: 645.2±3.0 cm3

Click to predict properties on the Chemicalize site


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