ChemSpider 2D Image | 1-Palmitoleoyl-2-stearoyl-sn-glycerol | C37H70O5

1-Palmitoleoyl-2-stearoyl-sn-glycerol

  • Molecular FormulaC37H70O5
  • Average mass594.949 Da
  • Monoisotopic mass594.522339 Da
  • ChemSpider ID7822641

  • 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-stearoyl-sn-glycerol
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanyl stearate [ACD/IUPAC Name]
(2S)-1-[(9Z)-9-Hexadecenoyloxy]-3-hydroxy-2-propanylstearat [German] [ACD/IUPAC Name]
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl octadecanoate
1-(9Z-hexadecenoyl)-2-octadecanoyl-sn-glycerol
DG(16:1(9Z)/18:0/0:0)[iso2]
Octadecanoic acid, (1S)-2-hydroxy-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester [ACD/Index Name]
Stéarate de (2S)-1-[(9Z)-9-hexadecenoyloxy]-3-hydroxy-2-propanyle [French] [ACD/IUPAC Name]
DAG(16:1/18:0)
DAG(16:1n7/18:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
LMGL02010023 [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: 647.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 181.3±16.7 °C
Index of Refraction: 1.472
Molar Refractivity: 178.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 14.89
ACD/LogD (pH 5.5): 13.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 637.7±3.0 cm3

Click to predict properties on the Chemicalize site


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