Methyl β-Glucuronide

Chemical Information
Methyl beta-D-glucuronoside is a derivative of beta-D-glucuronic acid in which a methyl group is present at the anomeric position. It is functionally related to a beta-D-glucuronic acid.
| CAS Number | 4356-84-7 |
| PubChem CID | 165220 |
| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid |
| Molecular Formula | C7H12O7 |
| Molecular Weight | 208.17 |
| XLogP | -1.8 |
| Topological Polar Surface Area | 116 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 218 |
| Property | Value |
|---|---|
| Molecular Weight | 208.17 |
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 208.05830272 |
| Monoisotopic Mass | 208.05830272 |
| Topological Polar Surface Area | 116 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 218 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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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