ChemSpider 2D Image | 13-hydroxy-alpha-tocopherol | C29H50O3

13-hydroxy-α-tocopherol

  • Molecular FormulaC29H50O3
  • Average mass446.706 Da
  • Monoisotopic mass446.376007 Da
  • ChemSpider ID34999549

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-2-[(4R,8S)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-6-chromanol [German] [ACD/IUPAC Name]
(2R)-2-[(4R,8S)-13-Hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-6-chromanol [ACD/IUPAC Name]
(2R)-2-[(4R,8S)-13-Hydroxy-4,8,12-triméthyltridécyl]-2,5,7,8-tétraméthyl-6-chromanol [French] [ACD/IUPAC Name]
13-hydroxy-α-tocopherol
2H-1-Benzopyran-2-tridecanol, 3,4-dihydro-6-hydroxy-β,ζ,κ,2,5,7,8-heptamethyl-, (ζS,kappaR,2R)- [ACD/Index Name]
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-6-ol
(2R)-2-[(4R,8S)-13-hydroxy-4,8,12-trimethyltridecyl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
13'-hydroxychromanol
13'hydroxy-α-tocopherol
13'-Hydroxy-α-tocopherol
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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: 563.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction: 1.505
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1505576.75
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1505429.63
Polar Surface Area: 50 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 460.3±3.0 cm3

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