Kaempferol-7-Neohesperidoside

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Formula C27H31O15+
IUPAC Name 7-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Mass 595.526 g·mol−1
Heat of Formation -2460.4 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 635.0 Å 3
Surface Area 516.73 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey ZEJXENDZTYVXDP-YBSMZAKVSA-N
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