ASO
Summary
| Name: | 1,5-anhydro-D-glucitol |
| Synonyms: | 1,5-ANHYDROSORBITOL |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,5-anhydro-D-glucitol |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol |
| PDB-CARE | 1.0 | D-1-deoxy-Glcp |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(OCC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1OC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(O1)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | MPCAJMNYNOGXPB-SLPGGIOYSA-N |
