ChemSpider 2D Image | (2R)-2-[(4S,8R)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-6-chromanol | C28H48O3

(2R)-2-[(4S,8R)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-6-chromanol

  • Molecular FormulaC28H48O3
  • Average mass432.679 Da
  • Monoisotopic mass432.360352 Da
  • ChemSpider ID35032541

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-2-[(4S,8R)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2-[(4S,8R)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-6-chromanol [ACD/IUPAC Name]
(2R)-2-[(4S,8R)-13-Hydroxy-4,8,12-triméthyltridécyl]-2,7,8-triméthyl-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-tridecanol, 3,4-dihydro-6-hydroxy-β,ζ,κ,2,7,8-hexamethyl-, (ζR,κS,2R)- [ACD/Index Name]
(2R)-2-[(4S,8R)-13-hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-6-ol
(2R)-2-[(4S,8R)-13-hydroxy-4,8,12-trimethyltridecyl]-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-γ-tocopherol
13'-OH-tocopherol

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: 1.0±0.1 g/cm3
Boiling Point: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.44
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 815899.81
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 815721.56
Polar Surface Area: 50 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 444.0±3.0 cm3

Click to predict properties on the Chemicalize site


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