OTG
Summary
| Name: | 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose |
| Synonyms: | ORTHO-TOLUOYLGLUCOSAMINE N-[(2-methylphenyl)carbonyl]-alpha-D-glucosamine; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucose; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-D-glucose; 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-glucose |
| Formula: | C14 H19 N O6 |
| Formal charge: | 0 |
| Formula weight: | 297.304 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | 2-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccccc1C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O |
| SMILES | CACTVS | 3.341 | Cc1ccccc1C(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccccc1C(=O)NC2C(C(C(OC2O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO6/c1-7-4-2-3-5-8(7)13(19)15-10-12(18)11(17)9(6-16)21-14(10)20/h2-5,9-12,14,16-18,20H,6H2,1H3,(H,15,19)/t9-,10-,11-,12-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | ZWRASUMSHKKCJN-SKENRDBWSA-N |
