07E
Summary
| Name: | (3S)-3-hydroxybutyl beta-D-xylopyranoside |
| Synonyms: | (3S)-3-hydroxybutyl beta-D-xyloside (3S)-3-hydroxybutyl D-xyloside; (3S)-3-hydroxybutyl xyloside |
| Formula: | C9 H18 O6 |
| Formal charge: | 0 |
| Formula weight: | 222.236 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-hydroxybutyl beta-D-xylopyranoside |
| OpenEye OEToolkits | 1.7.2 | (2R,3R,4S,5R)-2-[(3S)-3-oxidanylbutoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CCC(O)C)C1OCC(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | KAKVKOIRYXYSBS-KVEIKIFDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)CCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | C[CH](O)CCO[CH]1OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(CCOC1C(C(C(CO1)O)O)O)O |
