6MJ
Summary
| Name: | methyl beta-D-xylopyranoside |
| Synonyms: | methyl beta-D-xyloside methyl D-xyloside; methyl xyloside |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl beta-D-xylopyranoside |
| OpenEye OEToolkits | 2.0.4 | (2~{R},3~{R},4~{S},5~{R})-2-methoxyoxane-3,4,5-triol |
| GMML | 1.0 | DXylp[1Me]b |
| GMML | 1.0 | 1-methyl-b-D-xylopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC1OCC(C(C1O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ZBDGHWFPLXXWRD-JGWLITMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | CO[CH]1OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | COC1C(C(C(CO1)O)O)O |
