PUF
Summary
Name: | 6-deoxy-alpha-L-psicofuranose |
Synonyms: | 6-deoxy-alpha-L-psicose 6-deoxy-L-psicose; 6-deoxy-psicose |
Formula: | C6 H12 O5 |
Formal charge: | 0 |
Formula weight: | 164.156 Da |
Component type: | L-saccharide, alpha linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-deoxy-alpha-L-psicofuranose |
OpenEye OEToolkits | 1.9.2 | (2R,3S,4R,5S)-2-(hydroxymethyl)-5-methyl-oxolane-2,3,4-triol |
PDB-CARE | 1.0 | a-L-6-deoxy-Psif |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(O)C1(C(C(O)C(O1)C)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5-,6+/m0/s1 |
InChIKey | InChI | 1.03 | CJJCPDZKQKUXSS-OMMKOOBNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O |
SMILES | CACTVS | 3.385 | C[CH]1O[C](O)(CO)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1C(C(C(O1)(CO)O)O)O |