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Search term: GLIRWLJIRNITTL-LTBGKYDCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {[2,5,7,8-Tetramethyl-2-({[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}carbonyl)-3,4-dihydro-2H-chromen-6-yl]oxy}acetic acid | C36H58O6

{[2,5,7,8-Tetramethyl-2-({[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}carbonyl)-3,4-dihydro-2H-chromen-6-yl]oxy}acetic acid

  • Molecular FormulaC36H58O6
  • Average mass586.842 Da
  • Monoisotopic mass586.423340 Da
  • ChemSpider ID30815175

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{[2,5,7,8-Tetramethyl-2-({[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}carbonyl)-3,4-dihydro-2H-chromen-6-yl]oxy}acetic acid [ACD/IUPAC Name]
{[2,5,7,8-Tetramethyl-2-({[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]oxy}carbonyl)-3,4-dihydro-2H-chromen-6-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-2-carboxylic acid, 6-(carboxymethoxy)-3,4-dihydro-2,5,7,8-tetramethyl-, 2-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl] ester [ACD/Index Name]
Acide {[2,5,7,8-tétraméthyl-2-({[(2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yl]oxy}carbonyl)-3,4-dihydro-2H-chromén-6-yl]oxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 660.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 192.8±25.0 °C
Index of Refraction: 1.505
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 12.65
ACD/LogD (pH 5.5): 8.10
ACD/BCF (pH 5.5): 240006.66
ACD/KOC (pH 5.5): 56265.57
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 10716.81
ACD/KOC (pH 7.4): 2512.38
Polar Surface Area: 82 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 575.5±3.0 cm3

Click to predict properties on the Chemicalize site


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