CJB
Summary
| Name: | 1-beta-D-glucopyranosylpyrimidine-2,4(1H,3H)-dione |
| Synonyms: | 1-D-glucopyranosyl-uracil 1-beta-D-glucosylpyrimidine-2,4(1H,3H)-dione; 1-D-glucosylpyrimidine-2,4(1H,3H)-dione; 1-glucosylpyrimidine-2,4(1H,3H)-dione |
| Formula: | C10 H14 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 274.227 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione |
| OpenEye OEToolkits | 1.7.6 | 1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyrimidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C2OC(C(O)C(O)C2O)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O7/c13-3-4-6(15)7(16)8(17)9(19-4)12-2-1-5(14)11-10(12)18/h1-2,4,6-9,13,15-17H,3H2,(H,11,14,18)/t4-,6-,7+,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | PBGBADORVLQASN-DDIGBBAMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)O)O |
