PUD
Summary
| Name: | 6-deoxy-L-psicose |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-deoxy-L-psicose |
| OpenEye OEToolkits | 1.9.2 | (3S,4S,5S)-1,3,4,5-tetrakis(oxidanyl)hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(C(C)O)C(C(CO)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | QZNPNKJXABGCRC-ZXEDONINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@H](O)[C@H](O)C(=O)CO |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH](O)[CH](O)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(C(C(=O)CO)O)O)O |
