[({(2R,3R)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-1,3-Dihydroxy-2-Butanyl}Oxy)-Lambda~4~-Sulfanetriyl]Trioxidanide

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Formula C9H18O9S2--
IUPAC Name [(1r,2r)-3-[(1r,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl] hydrogen sulfate
Molecular Mass 334.364 g·mol−1
Heat of Formation -612.0 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 310.76 Å 3
Surface Area 271.03 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
InChIKey NYHLFUZUGSMDBR-ITGKUZSGSA-L
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