(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-1,3-Dihydroxy-2-Butanolate

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Formula C9H19O6S
IUPAC Name (2s,3s)-4-[(1r,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]butane-1,2,3-triol
Molecular Mass 255.309 g·mol−1
Heat of Formation -1138.6 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 280.83 Å 3
Surface Area 235.57 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey RPLSMILMVIUFAQ-DORWBKLESA-N
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