XIL
Summary
| Name: | (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside |
| Synonyms: | 3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xyloside; (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl D-xyloside; (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl xyloside |
| Formula: | C10 H17 N O7 |
| Formal charge: | 0 |
| Formula weight: | 263.244 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside |
| OpenEye OEToolkits | 1.5.0 | (3S,4R)-3-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2NCCC(OC1OCC(O)C(O)C1O)C2O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CO[C@@H](O[C@@H]2CCNC(=O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CO[CH](O[CH]2CCNC(=O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CNC(=O)C(C1OC2C(C(C(CO2)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | BHZMHPRIYUPDCT-BQWZOORQSA-N |
