B-Tocopherol

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Properties Simple | Detailed

Formula C28H48O2
IUPAC Name (2r)-2,5,8-trimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
Molecular Mass 416.680 g·mol−1
Heat of Formation -779.4 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 602.69 Å 3
Surface Area 423.02 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2,5,8-trimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-2h-chromen-6-ol
  • (2r)-2,5,8-trimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-6-chromanol
  • (2r)-2,5,8-trimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-ol
  • (2r)-3,4-dihydro-2,5,8-trimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-2h-1-benzopyran-6-ol
  • 5,8-dimethyltocol
InChIKey WGVKWNUPNGFDFJ-DQCZWYHMSA-N
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