2,5-Anhydro-1,6-Dideoxy-2-[(3E)-8-(4-Methoxy-5-Methyl-2-Oxo-2H-Pyran-6-Yl)-2-Methyl-1,3,5,7-Octatetraen-1-Yl]-4-C-Methylhexitol

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Properties Simple | Detailed

Formula C23H31O6+
IUPAC Name 6-[(1e,3e,5e,7z)-8-[(2r,3s,4r,5s)-3,4-dihydroxy-2,4,5-trimethyl-tetrahydrofuran-2-yl]-7-methyl-octa-1,3,5,7-tetraenyl]-4-methoxy-5-methyl-pyran-2-one
Molecular Mass 403.489 g·mol−1
Heat of Formation -905.5 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 498.38 Å 3
Surface Area 435.79 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey JLSVDPQAIKFBTO-WMSKAMBJSA-N
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