Found 30 results

Search term: MF = 'C_{63}H_{120}O_{5}'
ChemSpider 2D Image | (2R)-1-[(11Z)-11-Icosenoyloxy]-3-(octadecyloxy)-2-propanyl (13Z)-13-docosenoate | C63H120O5

(2R)-1-[(11Z)-11-Icosenoyloxy]-3-(octadecyloxy)-2-propanyl (13Z)-13-docosenoate

  • Molecular FormulaC63H120O5
  • Average mass957.624 Da
  • Monoisotopic mass956.913574 Da
  • ChemSpider ID59660491

  • 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

(13Z)-13-Docosénoate de (2R)-1-[(11Z)-11-icosenoyloxy]-3-(octadécyloxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(11Z)-11-Icosenoyloxy]-3-(octadecyloxy)-2-propanyl (13Z)-13-docosenoate [ACD/IUPAC Name]
(2R)-1-[(11Z)-11-Icosenoyloxy]-3-(octadecyloxy)-2-propanyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
13-Docosenoic acid, (1R)-2-(octadecyloxy)-1-[[[(11Z)-1-oxo-11-eicosen-1-yl]oxy]methyl]ethyl ester, (13Z)- [ACD/Index Name]
(2R)-1-[(11Z)-icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (13Z)-docos-13-enoate
1-(11-Eicosenoyl)-2-(13Z-docosenoyl)-3-octadecanyl-glycerol
1-Eicosenoyl-2-erucoyl-3-Stearyl-glycerol
TAG(20:1/22:1/18:0)
TAG(60:2)
TG(20:1(11Z)/22:1(13Z)/o-18:0)
More...

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: 870.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 314.7±30.2 °C
Index of Refraction: 1.472
Molar Refractivity: 299.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 60
#Rule of 5 Violations: 2
ACD/LogP: 28.22
ACD/LogD (pH 5.5): 26.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 26.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 62 Å2
Polarizability: 118.6±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 1069.4±3.0 cm3

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