CDG
Summary
| Name: | METHYL 4,6-O-[(1R)-1-CARBOXYETHYLIDENE]-BETA-D-GALACTOPYRANOSIDE |
| Formula: | C10 H16 O8 |
| Formal charge: | 0 |
| Formula weight: | 264.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(OCC2OC(OC)C(O)C(O)C2O1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1O[C@@H]2CO[C@](C)(O[C@@H]2[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(OCC2C(O1)C(C(C(O2)OC)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H16O8/c1-10(9(13)14)16-3-4-7(18-10)5(11)6(12)8(15-2)17-4/h4-8,11-12H,3H2,1-2H3,(H,13,14)/t4-,5-,6-,7+,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | ZDZVLEQWFATHTF-IJWOWSJNSA-N |
