0O3
Summary
| Name: | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate |
| Formula: | C5 H12 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 262.092 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | 3-(hydroxymethyl)but-3-enyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCCC(=C)\CO)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h6H,1-4H2,(H,10,11)(H2,7,8,9) |
| InChIKey | InChI | 1.03 | DFMXRQRICFHJAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCC(=C)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | OCC(=C)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=C(CCOP(=O)(O)OP(=O)(O)O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=C(CCOP(=O)(O)OP(=O)(O)O)CO |
