49V
Summary
| Name: | 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid |
| Synonyms: | 2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enuronic acid; 2-acetamido-2,4-dideoxy-L-erythro-hex-4-enuronic acid; 2-acetamido-2,4-dideoxy-erythro-hex-4-enuronic acid |
| Formula: | C8 H11 N O6 |
| Formal charge: | 0 |
| Formula weight: | 217.176 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid |
| OpenEye OEToolkits | 1.9.2 | (3S,4S)-3-acetamido-2,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1 |
| InChIKey | InChI | 1.03 | AHFZYQXMAHOUES-WGFRLMHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](O)OC(=C[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)OC(=C[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C=C(OC1O)C(=O)O)O |
