289
Summary
| Name: | D-glycero-alpha-D-manno-heptopyranose |
| Synonyms: | D-glycero-alpha-D-manno-heptose D-glycero-D-manno-heptose; D-glycero-manno-heptose |
| Formula: | C7 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 210.182 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-glycero-alpha-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol |
| PDB-CARE | 1.0 | D-gro-a-D-manHepp |
| GMML | 1.0 | DDmanHep |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(OC(O)C1O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C1C(C(C(C(O1)O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | BGWQRWREUZVRGI-QTNLNCNHSA-N |
