1N5
Summary
| Name: | (2R,4S)-2,4,7-trihydroxyheptanoic acid |
| Formula: | C7 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.183 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4S)-2,4,7-trihydroxyheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S)-2,4,7-trihydroxyheptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)CC(O)CCCO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCC[C@H](O)C[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | OCCC[CH](O)C[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C[C@H](C(=O)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(CC(C(=O)O)O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5/c8-3-1-2-5(9)4-6(10)7(11)12/h5-6,8-10H,1-4H2,(H,11,12)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | UZWBQTOHZVUOKI-NTSWFWBYSA-N |
