FGJ
Summary
| Name: | (2R)-3-hydroxypropane-1,2-diyl dihexanoate |
| Formula: | C15 H28 O5 |
| Formal charge: | 0 |
| Formula weight: | 288.38 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-hydroxypropane-1,2-diyl dihexanoate |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-2-hexanoyloxy-3-oxidanyl-propyl] hexanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | DRUFTGMQJWWIOL-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC |
| SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](CO)OC(=O)CCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(=O)OCC(CO)OC(=O)CCCCC |
