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Search term: 113372549 (Found by CSID)
ChemSpider 2D Image | (2R)-2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate | C50H88O6

(2R)-2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

  • Molecular FormulaC50H88O6
  • Average mass785.230 Da
  • Monoisotopic mass784.658081 Da
  • ChemSpider ID113372549

  • 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

(2R)-2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate [ACD/IUPAC Name]
(2R)-2-(Pentadecanoyloxy)-3-(tetradecanoyloxy)propyl-(6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoat [German] [ACD/IUPAC Name]
(6Z,9Z,12Z,15Z)-6,9,12,15-Octadécatétraénoate de (2R)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
6,9,12,15-Octadecatetraenoic acid, (2R)-2-[(1-oxopentadecyl)oxy]-3-[(1-oxotetradecyl)oxy]propyl ester, (6Z,9Z,12Z,15Z)- [ACD/Index Name]
1-tetradecanoyl-2-pentadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
TG(14:0/15:0/18:4(6Z,9Z,12Z,15Z))[iso6]
TG(14:015:018:4)
TG(47:4)

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

Density: 0.9±0.1 g/cm3
Boiling Point: 756.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.482
Molar Refractivity: 239.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 2
ACD/LogP: 19.22
ACD/LogD (pH 5.5): 17.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 94.8±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 839.2±3.0 cm3

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