YYJ
Summary
| Name: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose |
| Formula: | C6 H12 O18 S4 |
| Formal charge: | 0 |
| Formula weight: | 500.409 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-2-oxidanyl-3,4-disulfooxy-5-(sulfooxymethyl)oxolan-2-yl]methyl hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | UCVVRDOLNRDLDM-ARQDHWQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@]1(CO[S](O)(=O)=O)O[C@H](CO[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | O[C]1(CO[S](O)(=O)=O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
