BGN
Summary
| Name: | 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose |
| Synonyms: | N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE N-BUTANOYL-GLUCOSAMINE; N-butanoyl-beta-D-glucosamine; 2-(butanoylamino)-2-deoxy-beta-D-glucose; 2-(butanoylamino)-2-deoxy-D-glucose; 2-(butanoylamino)-2-deoxy-glucose |
| Formula: | C10 H19 N O6 |
| Formal charge: | 0 |
| Formula weight: | 249.261 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1O)CO)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)NC1C(C(C(OC1O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | RPJMPMDUKSRLLF-QXOHVQIXSA-N |
