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Search term: 59654476 (Found by CSID)
ChemSpider 2D Image | 1-(Stearoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C53H94O6

1-(Stearoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC53H94O6
  • Average mass827.310 Da
  • Monoisotopic mass826.705017 Da
  • ChemSpider ID59654476

  • 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

(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de 1-(stearoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyle [French] [ACD/IUPAC Name]
1-(Stearoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
1-(Stearoyloxy)-3-[(9Z)-9-tetradecenoyloxy]-2-propanyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, 2-[(1-oxooctadecyl)oxy]-1-[[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]methyl]ethyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2S)-1-(octadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1-Octadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(9Z-tetradecenoyl)-glycerol
1-Stearoyl-2-g-linolenoyl-3-myristoleoyl-glycerol
TAG(18:0/18:3/14:1)
TAG(50:4)
TG(18:0/18:3(6Z,9Z,12Z)/14:1(9Z))
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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: 0.9±0.1 g/cm3
Boiling Point: 783.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 294.3±32.9 °C
Index of Refraction: 1.481
Molar Refractivity: 253.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 48
#Rule of 5 Violations: 2
ACD/LogP: 20.98
ACD/LogD (pH 5.5): 18.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 100.3±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 888.7±3.0 cm3

Click to predict properties on the Chemicalize site


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