ChemSpider 2D Image | 1-Palmitoleoyl-2-eicosenoyl-sn-glycerol | C39H72O5

1-Palmitoleoyl-2-eicosenoyl-sn-glycerol

  • Molecular FormulaC39H72O5
  • Average mass620.986 Da
  • Monoisotopic mass620.537964 Da
  • ChemSpider ID7822670

  • 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

1-Palmitoleoyl-2-eicosenoyl-sn-glycerol
(11Z)-11-Icosénoate de (2S)-1-[(9Z)-9-hexadecenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (11Z)- [ACD/Index Name]
DG(16:1(9Z)/20:1(11Z)/0:0)
DG(16:1(9Z)/20:1(11Z)/0:0)[iso2]
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl (11Z)-icos-11-enoate
1-(9Z-hexadecenoyl)-2-(11Z-eicosenoyl)-sn-glycerol
DAG(16:1/20:1)
More...

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

EPA Pesticide Chemical Code 079011 [DBID]
LMGL02010054 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 667.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±6.0 kJ/mol
Flash Point: 185.1±16.7 °C
Index of Refraction: 1.477
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.43
ACD/LogD (pH 5.5): 13.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 664.4±3.0 cm3

Click to predict properties on the Chemicalize site


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