3BU
Summary
| Name: | L-allose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-allose |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(O)C(O)C(O)C(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | GZCGUPFRVQAUEE-MOJAZDJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O |
| SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O)[CH](O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(C(C=O)O)O)O)O)O |
