Z3U
Summary
| Name: | beta-D-Digitoxopyranose |
| Synonyms: | beta-D-Digitoxose 2,6-dideoxy-beta-D-ribo-hexopyranose; 2,6-dideoxy-beta-D-allopyranose; 2,6-dideoxy-beta-D-altropyranose; D-Digitoxose; Digitoxose |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,6-dideoxy-beta-D-ribo-hexopyranose |
| OpenEye OEToolkits | 1.7.6 | (2R,4S,5S,6R)-6-methyloxane-2,4,5-triol |
| GMML | 1.0 | DDigb |
| GMML | 1.0 | b-D-Digitoxopyranose |
| GMML | 1.0 | Dig |
| PDB-CARE | 1.0 | b-D-2,6-deoxy-Allp |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(OC(O)CC1O)C |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | FDWRIIDFYSUTDP-JGWLITMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | C[CH]1O[CH](O)C[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(CC(O1)O)O)O |
