HY4
Summary
| Name: | (2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate |
| Formula: | C14 H31 O5 P |
| Formal charge: | 0 |
| Formula weight: | 310.367 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2,3-dibutoxypropyl hydrogen (S)-propylphosphonate |
| OpenEye OEToolkits | 1.7.6 | [(2R)-2,3-dibutoxypropoxy]-propyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(OCCCC)COCCCC)(O)CCC |
| InChI | InChI | 1.03 | InChI=1S/C14H31O5P/c1-4-7-9-17-12-14(18-10-8-5-2)13-19-20(15,16)11-6-3/h14H,4-13H2,1-3H3,(H,15,16)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | WAMWNDWVNQLPHK-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOC[C@H](CO[P](O)(=O)CCC)OCCCC |
| SMILES | CACTVS | 3.385 | CCCCOC[CH](CO[P](O)(=O)CCC)OCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCOC[C@H](COP(=O)(CCC)O)OCCCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCOCC(COP(=O)(CCC)O)OCCCC |
