4NN
Summary
| Name: | N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide |
| Formula: | C8 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 201.177 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name) |
| OpenEye OEToolkits | 1.7.2 | N-[(2R,3S)-2-(hydroxymethyl)-3-oxidanyl-6-oxidanylidene-2,3-dihydropyran-5-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1OC(CO)C(O)C=C1NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.03 | COFUDTMBMJHQIZ-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)NC1=C[C@H](O)[C@@H](CO)OC1=O |
| SMILES | CACTVS | 3.370 | CC(=O)NC1=C[CH](O)[CH](CO)OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=O)NC1=CC(C(OC1=O)CO)O |
