(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(Hydroxymethyl)Tetrahydro-1-Thiopheniumyl]-2,4,5,6,7-Pentahydroxy-3-Heptanyl Sulfate
Properties
Property | Value |
---|---|
Formula | C12H24O12S2 |
IUPAC Name | [(z,1z)-1-[2-[(1s,5e)-3,4-dihydroxy-5-(hydroxymethylene)-2h-thiophen-2-id-1-yl]ethylidene]-3,5-dihydroxy-2-oxo-pent-3-enyl] hydroxy sulfite; hydron; dihydrate |
Molecular Mass | 424.442 g·mol−1 |
Heat of Formation | -416.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.87 ± 1.08 D |
Volume | 337.2 Å 3 |
Surface Area | 284.71 Å 2 |
HOMO Energy | -9.06 ± 0.55 eV |
LUMO Energy | 0.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | OMKXVFDVAGCPBS-QTIKZJLFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C S O |