DST
Summary
| Name: | DIMETHYLALLYL S-THIOLODIPHOSPHATE |
| Synonyms: | DMASPP DMAPP; DMADP; Dimethylallyl pyrophosphate; dimethylallyl diphosphate; isoprenyl pyrophosphate |
| Formula: | C5 H12 O6 P2 S |
| Formal charge: | 0 |
| Formula weight: | 262.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate |
| OpenEye OEToolkits | 2.0.7 | 3-methylbut-2-enylsulfanyl(phosphonooxy)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)OP(O)(=O)SC\C=C(\C)C |
| InChI | InChI | 1.03 | InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8) |
| InChIKey | InChI | 1.03 | ZWFWSISPSBLNGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCS[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCS[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCSP(=O)(O)OP(=O)(O)O)C |
