ChemSpider 2D Image | (2R)-2-[(3Z,7E,11Z)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,5,7,8-tetramethyl-6-chromanol | C29H44O3

(2R)-2-[(3Z,7E,11Z)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,5,7,8-tetramethyl-6-chromanol

  • Molecular FormulaC29H44O3
  • Average mass440.658 Da
  • Monoisotopic mass440.329041 Da
  • ChemSpider ID30776634

  • 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-[(3Z,7E,11Z)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,5,7,8-tetramethyl-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2-[(3Z,7E,11Z)-13-Hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,5,7,8-tetramethyl-6-chromanol [ACD/IUPAC Name]
(2R)-2-[(3Z,7E,11Z)-13-Hydroxy-4,8,12-triméthyl-3,7,11-tridécatrién-1-yl]-2,5,7,8-tétraméthyl-6-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-ol, 3,4-dihydro-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2,5,7,8-tetramethyl-, (2R)- [ACD/Index Name]
(2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-6-ol
(2R)-2-[(3Z,7E,11Z)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-Hydroxy-α-tocotrienol
13OHaTE

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: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.8±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 8.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 908499.94
ACD/LogD (pH 7.4): 8.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 908409.19
Polar Surface Area: 50 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 439.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement