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

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Formula C11H23O11S2
IUPAC Name [(1s,2r,3s)-1-[(1s)-2-[(1s,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]-1-hydroxy-ethyl]-2,3,4-trihydroxy-butyl] sulfate
Molecular Mass 395.424 g·mol−1
Heat of Formation -2049.4 ± 16.7 kJ·mol−1
Dipole Moment 11.12 ± 1.08 D
Volume 398.39 Å 3
Surface Area 318.52 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
InChIKey JLIZZBHQYALROX-CTPKJSQQSA-N
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