Methyl {(1R,4Z,8S,13E)-8-{[4,6-Dideoxy-4-(Hydroxyamino)-β-D-Glucopyranosyl]Oxy}-1-Hydroxy-13-[2-(Methyltrisulfanyl)Ethylidene]-11-Oxobicyclo[7.3.1]Trideca-4,9-Diene-2,6-Diyn-10-Yl}Carbamate

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Formula C24H29N2O9S3+
IUPAC Name methyl n-[(2s,5z,9r,13e)-2-[(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-(hydroxyamino)-6-methyl-tetrahydropyran-2-yl]oxy-9-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-12-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]carbamate
Molecular Mass 585.690 g·mol−1
Heat of Formation -816.9 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 651.74 Å 3
Surface Area 497.97 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey HIXBTEQHDWBCIJ-JZCXNSNGSA-N
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