7'-Methyl-3-Oxo-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3'-Yl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Formula C32H31NO12
IUPAC Name (2s,4s,5r,6r)-5-(acetylamino)-4-hydroxy-6-[(1r,2r)-1-hydroxy-2,3-dioxido-propyl]-2-[(9s)-7-methyl-3'-oxo-spiro[2,5,6,8-tetrahydroxanthene-2,5,6,8-tetraide-9,1'-4,5,6,7-tetrahydroisobenzofuran-4,5,6,7-tetraide]-3-yl]oxy-tetrahydropyran-2-carboxylate
Molecular Mass 621.588 g·mol−1
Heat of Formation -1894.0 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 680.68 Å 3
Surface Area 509.02 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey OICAWTHTZIDKHH-ZRPATQCMSA-N
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