3YW
Summary
| Name: | (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside |
| Synonyms: | (2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-D-glucoside; (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-glucoside |
| Formula: | C11 H21 N O8 |
| Formal charge: | 0 |
| Formula weight: | 295.286 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.9.2 | N-[(2S,3R,4R,5S,6R)-2-[(2S)-2,3-bis(oxidanyl)propoxy]-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(OC1OCC(O)CO)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | BURZSZGRQNCGQJ-KEWAQLPFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C(C(OC1OCC(CO)O)CO)O)O |
