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Search term: 59659861 (Found by CSID)
ChemSpider 2D Image | 2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C55H96O6

2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC55H96O6
  • Average mass853.347 Da
  • Monoisotopic mass852.720703 Da
  • ChemSpider ID59659861

  • 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

(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de 2-[(9Z)-9-hexadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
2-[(9Z)-9-Hexadecenoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, 2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-(9Z-Octadecenoyl)-2-(9Z-hexadecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol
1-Oleoyl-2-palmitoleoyl-3-a-linolenoyl-glycerol
TAG(18:1/16:1/18:3)
TAG(52:5)
TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
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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: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.45
ACD/LogD (pH 5.5): 18.85
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 18.85
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 915.3±3.0 cm3

Click to predict properties on the Chemicalize site


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