TTV
Summary
| Name: | beta-D-psicofuranose |
| Synonyms: | beta-D-psicose D-psicose; psicose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | beta-D-psicofuranose |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol |
| GMML | 1.0 | DPsifb |
| GMML | 1.0 | b-D-psicofuranose |
| PDB-CARE | 1.0 | b-D-Psif |
| GMML | 1.0 | Psi |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1(CO)OC(CO)C(O)C1O |
| 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-KVTDHHQDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[C](O)(CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@H]([C@](O1)(CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)(CO)O)O)O)O |
