(1S)-1,5-Anhydro-1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-Dihydroxy-7-Methoxy-4-Oxo-3,4-Dihydro-2H-Chromen-8-Yl]-D-Glucitol

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Properties Simple | Detailed

Formula C22H24O12
IUPAC Name (2r,3r)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chroman-4-one
Molecular Mass 480.419 g·mol−1
Heat of Formation -1995.6 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 506.06 Å 3
Surface Area 406.09 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey IPDDGEBOKRDKCT-ZXJKWVGLSA-N
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Elements H C O