[(1S,2S)-3-[(1S,2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrothiophen-1-Ium-1-Yl]-2-Hydroxy-1-(Hydroxymethyl)Propyl] Sulfate

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Formula C9H20O9S2
IUPAC Name [(1s,2s)-3-[(1s,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)-1λ4-thiolan-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl] hydrogen sulfate
Molecular Mass 336.380 g·mol−1
Heat of Formation -1638.0 ± 16.7 kJ·mol−1
Dipole Moment 11.87 ± 1.08 D
Volume 334.88 Å 3
Surface Area 275.71 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
InChIKey JAOCXWFMMKFBOG-ZEBDFXRSSA-N
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Elements H S C O