(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-1,3-Dihydroxy-2-Butanyl Sulfate
Properties
Property | Value |
---|---|
Formula | C9H18O9S2 |
IUPAC Name | [(1s,2s)-3-[(1s,2r,3s,4s)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophen-1-ium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl] sulfate |
Molecular Mass | 334.364 g·mol−1 |
Heat of Formation | -1636.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 11.58 ± 1.08 D |
Volume | 336.58 Å 3 |
Surface Area | 277.03 Å 2 |
HOMO Energy | -10.27 ± 0.55 eV |
LUMO Energy | 1.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | SOWRVDSZMRPKRG-YRPOCYRVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |