SLM
Summary
| Name: | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide |
| Synonyms: | SIALYLAMIDE |
| Formula: | C11 H20 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 308.285 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,4S,5R,6R)-5-(acetylamino)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
| OpenEye OEToolkits | 1.6.1 | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(N)=O |
| SMILES | CACTVS | 3.352 | CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | PKSULYZGXFBQIQ-PFQGKNLYSA-N |
