6'-Hydroxy-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3'-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H22O10
IUPAC Name (3s)-3'-hydroxy-6'-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
Molecular Mass 494.447 g·mol−1
Heat of Formation -1410.0 ± 16.7 kJ·mol−1
Dipole Moment 7.35 ± 1.08 D
Volume 533.28 Å 3
Surface Area 449.93 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey NIPYQLPZPLBOLF-JKSVXNCRSA-N
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Elements H C O