VDS
Summary
| Name: | beta-D-allofuranose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-D-allofuranose |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-5-[(1~{R})-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(O)C(C(CO)O)OC(C1O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | AVVWPBAENSWJCB-AIECOIEWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C1C(C(C(O1)O)O)O)O)O |
