| CAS Number | 1045020-74-3 |
| Catalog Number | AG008UD8(AGN-PC-0WAHOY) |
| Chemical Name | 4-Methylumbelliferyl α-L-idopranosiduronic acid 2-sulphate sodium salt |
| IUPAC Name | disodium;3,4-dihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-5-sulfonatooxyoxane-2-carboxylate |
| InChI | InChI=1S/C16H16O12S.2Na/c1-6-4-10(17)26-9-5-7(2-3-8(6)9)25-16-14(28-29(22,23)24)12(19)11(18)13(27-16)15(20)21;;/h2-5,11-14,16,18-19H,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2 |
| InChI Key | BGWMBPGUPUSUIU-UHFFFAOYSA-L |
| MDL Number | MFCD03788851 |
| Molecular Formula | C16H16NaO12S |
| Molecular Weight | 455.3458 |
| SMILES | OC(=O)C1OC(Oc2ccc3c(c2)oc(=O)cc3C)C(C(C1O)O)OS(=O)(=O)O.[Na] |
| Synonyms | 1045020-74-3,
4-Methylumbelliferyl alpha-L-idopyranosiduronic acid 2-sulphate disodium salt,
4-Methylumbelliferyl I+/--L-Idopyranosiduronic Acid 2-Sulfate Disodium Salt,
|
| Complexity | 767 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.316g/mol |
| Monoisotopic Mass | 476g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 200A^2 |
| Undefined Atom Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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