IP8
Summary
| Name: | Isopentenyl phosphate |
| Synonyms: | 3-methylbut-3-en-1-yl dihydrogen phosphate |
| Formula: | C5 H11 O4 P |
| Formal charge: | 0 |
| Formula weight: | 166.112 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methylbut-3-en-1-yl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | 3-methylbut-3-enyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCCC(=C)\C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8) |
| InChIKey | InChI | 1.03 | QMZRXYCCCYYMHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=C)CCO[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(=C)CCO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=C)CCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=C)CCOP(=O)(O)O |
