OGU
Summary
Name: | 2,3-diOH-butyric acid |
Synonyms: | (2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid (2R,3S)-2,3-dihydroxybutyric acid |
Formula: | C4 H8 O4 |
Formal charge: | 0 |
Formula weight: | 120.104 Da |
Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 3.1.0.0 | (2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1 |
InChIKey | InChI | 1.06 | LOUGYXZSURQALL-STHAYSLISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)[C@@H](O)C(O)=O |
SMILES | CACTVS | 3.385 | C[CH](O)[CH](O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]([C@H](C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C(C(=O)O)O)O |