6-O-Acetyl-3-O-(4-C-Acetyl-2,6-Dideoxy-3-O-Methylhexopyranosyl)-1-(4-Amino-3-Carboxy-1-Hydroxy-2,5-Dioxo-3-Cyclohexen-1-Yl)-1,5-Anhydro-4-O-(2-Isothiocyanato-2-Butenoyl)Hexitol

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Properties Simple | Detailed

Formula C29H26N2O16S
IUPAC Name (3r)-5-cyano-3-[5-(2-isothiocyanatobut-3-enoyloxy)-4-[(6-methylene-5-oxo-3,4-dihydropyran-2,3,4-triid-2-yl)oxy]-3-oxo-6-(oxomethylene)pyran-2-id-2-yl]-4,6-dioxo-6-(oxomethoxy)hex-1-yne-1,3-diolate; ethanolate
Molecular Mass 690.586 g·mol−1
Heat of Formation 1535.9 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 704.92 Å 3
Surface Area 566.81 Å 2
Point Group Symmetry C1
InChIKey ZIOGVGDMWOZVBR-UVWLQONMSA-N
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