DSR
Summary
| Name: | 2,6-dideoxy-4-thio-beta-D-allopyranose |
| Synonyms: | 2,6-dideoxy-4-thio-beta-D-allose 2,6-dideoxy-4-thio-D-allose; 2,6-dideoxy-4-thio-allose |
| Formula: | C6 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 164.223 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,6-dideoxy-4-thio-beta-D-ribo-hexopyranose |
| OpenEye OEToolkits | 1.5.0 | (2R,4S,5S,6R)-6-methyl-5-sulfanyl-oxane-2,4-diol |
| PDB-CARE | 1.0 | b-D-2,6-deoxy-Allp4SH |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | SC1C(OC(O)CC1O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH](O)C[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O)O)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(CC(O1)O)O)S |
| InChI | InChI | 1.03 | InChI=1S/C6H12O3S/c1-3-6(10)4(7)2-5(8)9-3/h3-8,10H,2H2,1H3/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | PYIPBDQDMFBTIQ-JGWLITMVSA-N |
