NGO
Summary
| Name: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE |
| Synonyms: | N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE |
| Formula: | C8 H14 N O5 |
| Formal charge: | 1 |
| Formula weight: | 204.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium |
| OpenEye OEToolkits | 1.5.0 | (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]oxazol-1-ium-6,7-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=[NH+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O1 |
| SMILES | CACTVS | 3.341 | CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=[NH+]C2C(C(C(OC2O1)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | PDBSWNMXMILYCQ-PVFLNQBWSA-O |
