5-(Cis-1,4-Dihydroxycyclohexyl)-1,4-Dihydroxy-3-[(2E,4E,6E)-8-(Hydroxymethyl)-2,4,6-Decatrienoyl]-2(1H)-Pyridinone

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Formula C22H29NO7+
IUPAC Name 5-(1,4-dihydroxycyclohexyl)-1,4-dihydroxy-3-[(2e,4e,6e,8s)-8-(hydroxymethyl)deca-2,4,6-trienoyl]pyridin-2-one
Molecular Mass 419.468 g·mol−1
Heat of Formation -1055.5 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 494.99 Å 3
Surface Area 443.76 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey WXLPIUFTKBWEGE-PNPVSWLZSA-N
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