Obsolete: 2WS
Summary
| Name: | beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose |
| Formula: | C15 H26 O13 |
| Formal charge: | 0 |
| Formula weight: | 414.359 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose |
| OpenEye OEToolkits | 1.7.6 | (2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-bis(oxidanyl)-6-[(3R,4R,5R,6R)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxan-3-yl]oxyoxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(C1COC(O)C(O)C1O)C3OCC(OC2OCC(O)C(O)C2O)C(O)C3O |
| InChI | InChI | 1.03 | InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1 |
| InChIKey | InChI | 1.03 | JCSJTDYCNQHPRJ-MMDFAQQLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CO[CH](O[CH]2CO[CH](O[CH]3CO[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)O)O)O)O |
