M72
Summary
| Name: | (2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid |
| Formula: | C10 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 196.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-2-hydroxy-3-methoxy-3-phenylpropanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3R)-3-methoxy-2-oxidanyl-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(OC)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12O4/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9,11H,1H3,(H,12,13)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | GXFJZAOTDOMEEI-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]([C@@H](O)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CO[CH]([CH](O)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@H](c1ccccc1)[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(c1ccccc1)C(C(=O)O)O |
