BBV
Summary
| Name: | benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside |
| Synonyms: | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside benzyl 2-acetamido-2-deoxy-alpha-D-glucoside; benzyl 2-acetamido-2-deoxy-D-glucoside; benzyl 2-acetamido-2-deoxy-glucoside |
| Formula: | C15 H21 N O6 |
| Formal charge: | 0 |
| Formula weight: | 311.33 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.7.6 | N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenylmethoxy-oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | SKOZFDIGKDPQBO-RYPNDVFKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OCc2ccccc2 |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(OC1OCc2ccccc2)CO)O)O |
