EPO
Summary
Name: | (2R,3R)-oxirane-2,3-dicarboxylic acid |
Formula: | C4 H4 O5 |
Formal charge: | 0 |
Formula weight: | 132.072 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R,3R)-oxirane-2,3-dicarboxylic acid |
OpenEye OEToolkits | 1.7.0 | (3R)-oxirane-2,3-dicarboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1OC1C(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1O[C@H]1C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)[CH]1O[CH]1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [C@@H]1(C(O1)C(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C1(C(O1)C(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1 |
InChIKey | InChI | 1.03 | DCEMCPAKSGRHCN-JCYAYHJZSA-N |