[(1S,2R,3S,4R)-1-[(1S)-2-[(1S,2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydrothiophen-1-Ium-1-Yl]-1-Hydroxy-Ethyl]-2,3,4,5-Tetrahydroxy-Pentyl] Sulfate
Properties
Property | Value |
---|---|
Formula | C12H26O12S2 |
IUPAC Name | [(1s,2r,3s,4r)-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 | -2216.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.93 ± 1.08 D |
Volume | 427.13 Å 3 |
Surface Area | 353.55 Å 2 |
HOMO Energy | -10.04 ± 0.55 eV |
LUMO Energy | -1.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | HZTNSMGDQZUPJI-TWOHWVPZSA-N |
QR Code | Generate QR Code |
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Elements | H C S O |