1-S-[(1Z)-2-(1H-Indol-3-Yl)-N-(Sulfooxy)Ethanimidoyl]-1-Thio-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C16H20N2O9S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1h-indol-3-yl)-n-sulfooxyethanimidothioate
Molecular Mass 448.468 g·mol−1
Heat of Formation -1310.7 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 465.41 Å 3
Surface Area 345.51 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
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  • c
InChIKey DNDNWOWHUWNBCK-PIAXYHQTSA-N
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