| CAS Number | 1423035-40-8 |
| Catalog Number | AG00HWGP(AGN-PC-0WR0EZ) |
| Chemical Name | Octyl-d-glucuronide methyl ester |
| IUPAC Name | methyl 3,4,5-trihydroxy-6-octoxyoxane-2-carboxylate |
| InChI | InChI=1S/C15H28O7/c1-3-4-5-6-7-8-9-21-15-12(18)10(16)11(17)13(22-15)14(19)20-2/h10-13,15-18H,3-9H2,1-2H3 |
| InChI Key | ACKBBJVQNULHIP-UHFFFAOYSA-N |
| MDL Number | MFCD15144894 |
| Molecular Formula | C15H28O7 |
| Molecular Weight | 320.3786 |
| SMILES | CCCCCCCCOC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OC |
| Synonyms | OCTYL-D-GLUCURONIDE METHYL ESTER,
1423035-40-8,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.382g/mol |
| Monoisotopic Mass | 320.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number