MQD
Summary
| Name: | 2-METHYLPENTANE-1,2,4-TRIOL |
| Formula: | C6 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 134.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,3-dideoxy-4-C-methyl-D-erythro-pentitol |
| OpenEye OEToolkits | 1.5.0 | (2S,4S)-2-methylpentane-1,2,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(C)CC(O)(C)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)C[C@](C)(O)CO |
| SMILES | CACTVS | 3.341 | C[CH](O)C[C](C)(O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C[C@@](C)(CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(C)(CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O3/c1-5(8)3-6(2,9)4-7/h5,7-9H,3-4H2,1-2H3/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | OMXLSJPESIOAGG-WDSKDSINSA-N |
