Stearoyl-epsilon-CoA

Chemical Information
| CAS Number | 73945-37-6 |
| PubChem CID | 194554 |
| IUPAC Name | S-[2-[3-[[2-hydroxy-4-[hydroxy-[hydroxy-[(4-hydroxy-5-imidazo[2,1-f]purin-3-yl-3-phosphonooxyoxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] octadecanethioate |
| Molecular Formula | C41H70N7O17P3S |
| Molecular Weight | 1058.0 |
| XLogP | 4 |
| Topological Polar Surface Area | 367 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 36 |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1740 |
| Property | Value |
|---|---|
| Molecular Weight | 1058.0 |
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 36 |
| Exact Mass | 1057.37617596 |
| Monoisotopic Mass | 1057.37617596 |
| Topological Polar Surface Area | 367 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1740 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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