[(1S,2S)-3-[(1S,2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrothiophen-1-Ium-1-Yl]-2-Hydroxy-1-(Hydroxymethyl)Propyl] Sulfate
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
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Elements | H S C O |