DJB
Summary
| Name: | 3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid |
| Synonyms: | alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid 3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galacturonic acid; 3-O-acetyl-2-acetamido-2-deoxy-D-galacturonic acid; 3-O-acetyl-2-acetamido-2-deoxy-galacturonic acid |
| Formula: | C10 H15 N O8 |
| Formal charge: | 0 |
| Formula weight: | 277.228 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1 |
| InChIKey | InChI | 1.03 | ZCWUGSBUHDVNCR-BGJNVIQHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1[C@@H](O)O[C@@H]([C@H](O)[C@@H]1OC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C(=O)O)O)OC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1C(C(C(OC1O)C(=O)O)O)OC(=O)C |
