9JB
Summary
| Name: | 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol |
| Formula: | C14 H30 O7 |
| Formal charge: | 0 |
| Formula weight: | 310.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H30O7/c1-11(16)4-19-8-14(7-15,9-20-5-12(2)17)10-21-6-13(3)18/h11-13,15-18H,4-10H2,1-3H3/t11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | KKXXPTIHUVGGLQ-UPJWGTAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)COC[C@](CO)(COC[C@@H](C)O)COC[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)COC[C](CO)(COC[CH](C)O)COC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](COCC(CO)(COC[C@@H](C)O)COC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(COCC(CO)(COCC(C)O)COCC(C)O)O |
