(1S)-1,5-Anhydro-1-{2-[(2R)-2-Hydroxypropyl]-7-Methoxy-5-Methyl-4-Oxo-4H-Chromen-8-Yl}-2-O-[(2E)-3-Phenyl-2-Propenoyl]-D-Glucitol

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Properties Simple | Detailed

Formula C29H32O10
IUPAC Name [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2r)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (e)-3-phenylprop-2-enoate
Molecular Mass 540.558 g·mol−1
Heat of Formation -1570.2 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 638.69 Å 3
Surface Area 485.94 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey YDJIHVUNYBLYLF-CNYNUZHASA-N
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Elements H C O