Methyl 1-C-[(1S,3R)-7-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)-3-(Hydroxymethyl)-6-Methoxy-1,2,3,4-Tetrahydro-2-Naphthalenyl]-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H34O11
IUPAC Name (2r,3r,4s,5s,6r)-2-[(1s,2s,3r)-7-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-6-methoxy-tetralin-2-yl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
Molecular Mass 522.542 g·mol−1
Heat of Formation -1867.5 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 576.73 Å 3
Surface Area 436.72 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey VRDFUQQTQIRXIH-BBJWARSOSA-N
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Elements H C O