HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-hydroxyhexanedioyl-CoA
Identifiers & Physical Properties
| Molecular formula | C27H44N7O20P3S |
|---|---|
| Average molar mass | 911.7 g/mol |
| Monoisotopic mass | 911.15746899 g/mol |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCC(=O)O |
| InChIKey | OTEACGAEDCIMBS-UHFFFAOYSA-N |
| PubChem CID | 90 |
Chemical & Physical Properties
| XLogP | -6.5 |
|---|---|
| Topological polar surface area | 446 |
| Hydrogen bond donors | 11 |
| Hydrogen bond acceptors | 25 |
| Rotatable bonds | 25 |
| Heavy atoms | 58 |
| Formal charge | 0 |
| Complexity | 1,580 |