YYH
Summary
| Name: | 7-deoxy-L-glycero-alpha-D-manno-heptopyranose |
| Formula: | C7 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 194.182 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-deoxy-L-glycero-alpha-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5S,6R)-6-[(1S)-1-oxidanylethyl]oxane-2,3,4,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1C(O)C(OC(O)C1O)C(O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1 |
| InChIKey | InChI | 1.03 | PZODEECXPHBZCU-QQABCQGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C1C(C(C(C(O1)O)O)O)O)O |
