PSV
Summary
| Name: | alpha-D-psicofuranose |
| Synonyms: | alpha-D-psicose D-psicose; psicose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | alpha-D-psicofuranose |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol |
| GMML | 1.0 | DPsifa |
| GMML | 1.0 | a-D-psicofuranose |
| PDB-CARE | 1.0 | a-D-Psif |
| GMML | 1.0 | Psi |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | OC1C(O)C(OC1(O)CO)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.352 | OC[CH]1O[C](O)(CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(O1)(CO)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | RFSUNEUAIZKAJO-KAZBKCHUSA-N |
