C4X
Summary
| Name: | 3,4-EPOXYBUTYL-BETA-D-XYLOSIDE |
| Formula: | C9 H16 O6 |
| Formal charge: | 0 |
| Formula weight: | 220.22 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(2R)-oxiran-2-yl]ethyl beta-D-xylopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2-[2-[(2R)-oxiran-2-yl]ethoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCC1OC1)C2OCC(O)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CO[C@@H](OCC[C@@H]2CO2)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CO[CH](OCC[CH]2CO2)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](O1)CCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(O1)CCOC2C(C(C(CO2)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H16O6/c10-6-4-15-9(8(12)7(6)11)13-2-1-5-3-14-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | QVLDZEPOGBSMRP-SYHAXYEDSA-N |
