KBG
Summary
| Name: | beta-D-arabino-hexopyranos-2-ulose |
| Synonyms: | 2-KETO-BETA-D-GLUCOSE beta-D-arabino-hexos-2-ulose; D-arabino-hexos-2-ulose; arabino-hexos-2-ulose |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | beta-D-arabino-hexopyranos-2-ulose |
| OpenEye OEToolkits | 1.5.0 | (2R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(O)OC(CO)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](O)C(=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[CH](O)C(=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(=O)C(O1)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2/t2-,3-,4+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | FYWIDDXZIOQEQU-KAQMDTKVSA-N |
