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Search term: 21171652 (Found by CSID)
ChemSpider 2D Image | MFCD00214386 | C55H100O6

MFCD00214386

  • Molecular FormulaC55H100O6
  • Average mass857.379 Da
  • Monoisotopic mass856.752014 Da
  • ChemSpider ID21171652

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(9Z,12Z)-9,12-Octadécadiénoate de 2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
1587-93-5 [RN]
1-Palmitoyl-2-Oleoyl-3-Linolein
2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
2680-59-3 [RN]
3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
9,12-Octadecadienoic acid, 3-[(1-oxohexadecyl)oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl ester, (9Z,12Z)- [ACD/Index Name]
MFCD00214386
(9Z,12Z)-2-(Oleoyloxy)-3-(palmitoyloxy)propyl octadeca-9,12-dienoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S6K38J8R5G [DBID]
P8577_SIGMA [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: 801.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 298.5±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 22.65
ACD/LogD (pH 5.5): 20.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.93
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: 34.8±3.0 dyne/cm
Molar Volume: 928.1±3.0 cm3

Click to predict properties on the Chemicalize site


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