ChemSpider 2D Image | 2-[(9Z)-9-Tetradecenoyloxy]-3-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate | C45H82O6

2-[(9Z)-9-Tetradecenoyloxy]-3-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate

  • Molecular FormulaC45H82O6
  • Average mass719.129 Da
  • Monoisotopic mass718.611145 Da
  • ChemSpider ID113372213

  • 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)-9-Pentadécénoate de 2-[(9Z)-9-tetradecenoyloxy]-3-(tridecanoyloxy)propyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Tetradecenoyloxy]-3-(tridecanoyloxy)propyl (9Z)-9-pentadecenoate [ACD/IUPAC Name]
2-[(9Z)-9-Tetradecenoyloxy]-3-(tridecanoyloxy)propyl-(9Z)-9-pentadecenoat [German] [ACD/IUPAC Name]
9-Pentadecenoic acid, 2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]-3-[(1-oxotridecyl)oxy]propyl ester, (9Z)- [ACD/Index Name]
1-tridecanoyl-2-(9Z-tetradecenoyl)-3-(9Z-pentadecenoyl)-sn-glycerol
TG(13:0/14:1(9Z)/15:1(9Z))[iso6]
TG(13:014:115:1)
TG(42:2)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 710.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 274.7±27.4 °C
Index of Refraction: 1.473
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 2
ACD/LogP: 17.85
ACD/LogD (pH 5.5): 16.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 769.4±3.0 cm3

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