ChemSpider 2D Image | (2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C37H62O5

(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC37H62O5
  • Average mass586.885 Da
  • Monoisotopic mass586.459717 Da
  • ChemSpider ID24766068

  • 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 (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2S)-2-[(9Z)-9-Hexadecenoyloxy]-3-hydroxypropyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2S)-2-[(9Z)-9-hexadecenoyloxy]-3-hydroxypropyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2S)-3-hydroxy-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(9Z-hexadecenoyl)-sn-glycerol
1-Stearidonoyl-2-palmitoleoyl-sn-glycerol
DAG(18:4/16:1)
DAG(18:4n3/16:1n7)
DAG(18:4w3/16:1w7)
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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: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 184.3±25.0 °C
Index of Refraction: 1.496
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 12.56
ACD/LogD (pH 5.5): 10.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 612.2±3.0 cm3

Click to predict properties on the Chemicalize site


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