A1H87
Summary
| Name: | 2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2S)-2-[(2S)-2-oxidanylpropoxy]propoxy]methyl]propane-1,3-diol |
| Formula: | C14 H30 O7 |
| Formal charge: | 0 |
| Formula weight: | 310.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(2~{S})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]methyl]propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H30O7/c1-11(17)4-19-9-14(7-15,8-16)10-20-6-13(3)21-5-12(2)18/h11-13,15-18H,4-10H2,1-3H3/t11-,12-,13-/m0/s1 |
| InChIKey | InChI | 1.06 | GYGFRXYZKNFZRH-AVGNSLFASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)COCC(CO)(CO)COC[C@H](C)OC[C@H](C)O |
| SMILES | CACTVS | 3.385 | C[CH](O)COCC(CO)(CO)COC[CH](C)OC[CH](C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](COCC(CO)(CO)COC[C@H](C)OC[C@H](C)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COCC(CO)(CO)COCC(C)OCC(C)O)O |
