Obsolete: YYR
Summary
| Name: | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol |
| Formula: | C8 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 205.208 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol |
| OpenEye OEToolkits | 1.7.6 | N-[(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1C(O)C(O)C(OC1)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | VCYYRDKGHLOTQU-WCTZXXKLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1COC(C(C1O)O)CO |
