Dopamine 4-O-Sulfate

Chemical Information
Dopamine 4-O-sulfate is an aryl sulfate that is dopamine in which the phenolic hydrogen at position 4 has been replaced by a sulfo group. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a member of phenols, an aryl sulfate and a primary amino compound. It is functionally related to a dopamine. It is a tautomer of a dopamine 4-O-sulfate zwitterion.
| CAS Number | 38339-02-5 |
| PubChem CID | 123932 |
| IUPAC Name | [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate |
| Molecular Formula | C8H11NO5S |
| Molecular Weight | 233.24 |
| XLogP | -2.3 |
| Topological Polar Surface Area | 118 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286 |
| Property | Value |
|---|---|
| Molecular Weight | 233.24 |
| XLogP3 | -2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 233.03579362 |
| Monoisotopic Mass | 233.03579362 |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 286 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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