(1S,4Ar,5S,7As)-5-Hydroxy-7-({[(Methylsulfanyl)Carbonyl]Oxy}Methyl)-1-(α-L-Talopyranosyloxy)-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C18H24O12S |
| IUPAC Name | (1s,4ar,5s,7as)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid |
| Molecular Mass | 464.441 g·mol−1 |
| Heat of Formation | -2065.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.70 ± 1.08 D |
| Volume | 489.24 Å 3 |
| Surface Area | 383.37 Å 2 |
| HOMO Energy | -9.40 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ICTKKPLVSHVNDV-RXNBVSSQSA-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 |