XY6
Summary
| Name: | 2,3-di-O-sulfo-beta-D-xylopyranose |
| Formula: | C5 H10 O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 310.256 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3-di-O-sulfo-beta-D-xylopyranose |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{S},5~{R})-2,5-bis(oxidanyl)-3-sulfooxy-oxan-4-yl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1OCC(O)C(OS(=O)(=O)O)C1OS(=O)(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C5H10O11S2/c6-2-1-14-5(7)4(16-18(11,12)13)3(2)15-17(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)/t2-,3+,4-,5-/m1/s1 |
| InChIKey | InChI | 1.06 | PCTZUCFLPZUYKQ-KKQCNMDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O |
