C4B
Summary
| Name: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione |
| Synonyms: | 1-beta-D-glucosyl-1,3,5-triazinane-2,4,6-trione 1-D-glucosyl-1,3,5-triazinane-2,4,6-trione; 1-glucosyl-1,3,5-triazinane-2,4,6-trione |
| Formula: | C9 H13 N3 O8 |
| Formal charge: | 0 |
| Formula weight: | 291.215 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione |
| OpenEye OEToolkits | 1.5.0 | 1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,5-triazinane-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C(=O)NC(=O)NC2=O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C(=O)NC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C(=O)NC(=O)NC2=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)N2C(=O)NC(=O)NC2=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O8/c13-1-2-3(14)4(15)5(16)6(20-2)12-8(18)10-7(17)11-9(12)19/h2-6,13-16H,1H2,(H2,10,11,17,18,19)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | AWNGSFAGXKOIML-VFUOTHLCSA-N |
