[({(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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Properties Simple | Detailed

Formula C9H19O9S2
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 335.372 g·mol−1
Heat of Formation -1604.1 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 345.49 Å 3
Surface Area 291.55 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey NYHLFUZUGSMDBR-ITGKUZSGSA-L
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Elements H C S O