ChemSpider 2D Image | (2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate | C51H90O6

(2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate

  • Molecular FormulaC51H90O6
  • Average mass799.257 Da
  • Monoisotopic mass798.673767 Da
  • ChemSpider ID59657558

  • 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)-3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-6,9,12-octadecatrienoate [ACD/IUPAC Name]
(2S)-3-[(9Z)-9-Hexadecenoyloxy]-2-(tetradecanoyloxy)propyl-(6Z,9Z,12Z)-6,9,12-octadecatrienoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z)-6,9,12-Octadécatriénoate de (2S)-3-[(9Z)-9-hexadecenoyloxy]-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
6,9,12-Octadecatrienoic acid, (2S)-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl ester, (6Z,9Z,12Z)- [ACD/Index Name]
(2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
1-(9Z-Hexadecenoyl)-2-tetradecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol
1-Palmitoleoyl-2-myristoyl-3-g-linolenoyl-glycerol
TAG(16:1/14:0/18:3)
TAG(48:4)
TG(16:1(9Z)/14:0/18:3(6Z,9Z,12Z))
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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: 765.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 289.7±32.9 °C
Index of Refraction: 1.482
Molar Refractivity: 243.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 2
ACD/LogP: 19.91
ACD/LogD (pH 5.5): 18.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 96.7±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 855.7±3.0 cm3

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