| CAS Number | 79466-08-3 |
| Catalog Number | AG005JLH(AGN-PC-0UEMCS) |
| Chemical Name | (1R,2S,5R)-(-)-Menthol β-D-Glucuronide |
| IUPAC Name | hexadecan-2-yloxy-methyl-oxo-sulfanylidene-λ6-sulfane |
| InChI | InChI=1S/C17H36O2S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)19-21(3,18)20/h17H,4-16H2,1-3H3 |
| InChI Key | VDLVENSMMLMOBT-UHFFFAOYSA-N |
| MDL Number | MFCD00870744 |
| Molecular Formula | C16H28O7 |
| Molecular Weight | 332.3893 |
| SMILES | CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]2O[C@@H]([C@@H](O)C(O)C2O)C(=O)O |
| Synonyms | menthol glucuronide,
S-Hexadecyl methanesulfonothioate,
79466-08-3,
CTK8D8068,
AKOS030242796,
Menthol glucuronide,
C044963,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.215673g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.6g/mol |
| Monoisotopic Mass | 336.215673g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number