(1S)-4-O-β-D-Allopyranosyl-1,5-Anhydro-1-[5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-4-Oxo-4H-Chromen-6-Yl]-D-Allitol

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Properties Simple | Detailed

Formula C28H33O15+
IUPAC Name 6-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
Molecular Mass 609.553 g·mol−1
Heat of Formation -2455.7 ± 16.7 kJ·mol−1
Dipole Moment 10.53 ± 1.08 D
Volume 648.94 Å 3
Surface Area 541.11 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey LTSHFAAMUZRJGB-MFXMLHHTSA-N
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Elements H C O