LGC
Summary
| Name: | D-glucono-1,5-lactone |
| Synonyms: | (3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE GLUCONOLACTONE |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OC(CO)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(=O)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/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1 |
| InChIKey | InChI | 1.03 | PHOQVHQSTUBQQK-SQOUGZDYSA-N |
