SKD
Summary
| Name: | 2-ACETYLAMINO-7-(1,2-DIHYDROXY-ETHYL)-3-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-5-CARBOXYLIC ACID |
| Synonyms: | 2,7-ANHYDRO-NEU5AC |
| Formula: | C11 H17 N O8 |
| Formal charge: | 0 |
| Formula weight: | 291.255 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2R,3S,5S,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (1S,3S,4R,5R,6R)-4-acetamido-6-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)CC2(OC1C(O2)C(O)CO)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@@H]1[C@@H](O)C[C@]2(O[C@H]([C@H](O)CO)[C@@H]1O2)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)C[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(CC2(OC1C(O2)C(CO)O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H17NO8/c1-4(14)12-7-5(15)2-11(10(17)18)19-8(6(16)3-13)9(7)20-11/h5-9,13,15-16H,2-3H2,1H3,(H,12,14)(H,17,18)/t5-,6+,7+,8+,9+,11+/m0/s1 |
| InChIKey | InChI | 1.03 | NCMJSVDTRDLWJE-YRMXFSIDSA-N |
