[(1S,2R,3R,4S)-1-[(1S)-2-[(1R,2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrothiophen-1-Ium-1-Yl]-1-Hydroxy-Ethyl]-2,3,4,5-Tetrahydroxy-Pentyl] Hydrogen Sulfate

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Properties Simple | Detailed

Formula C12H26O12S2
IUPAC Name [(1s,2r,3r,4s)-1-[(1s)-2-[(1s,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)-1λ4-thiolan-1-yl]-1-hydroxy-ethyl]-2,3,4,5-tetrahydroxy-pentyl] hydrogen sulfate
Molecular Mass 426.458 g·mol−1
Heat of Formation -2229.0 ± 16.7 kJ·mol−1
Dipole Moment 1.86 ± 1.08 D
Volume 441.42 Å 3
Surface Area 358.42 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey HZTNSMGDQZUPJI-ANMVVJAESA-N
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