| CAS Number | 206443-06-3 |
| Catalog Number | AG002II4(AGN-PC-0WAIGO) |
| Chemical Name | 4-Methylumbelliferyl beta-d-galactopyranoside-6-sulfate sodium salt |
| IUPAC Name | sodium;[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl sulfate |
| InChI | InChI=1S/C16H18O11S.Na/c1-7-4-12(17)26-10-5-8(2-3-9(7)10)25-16-15(20)14(19)13(18)11(27-16)6-24-28(21,22)23;/h2-5,11,13-16,18-20H,6H2,1H3,(H,21,22,23);/q;+1/p-1/t11?,13-,14-,15-,16+;/m0./s1 |
| InChI Key | KHTOBGQRIASILC-GQWHDXKGSA-M |
| MDL Number | MFCD01861961 |
| Molecular Formula | C16H17NaO11S |
| Molecular Weight | 440.3544 |
| SMILES | O=C(O1)C=C(C)C(C1=C2)=CC=C2O[C@@H]3O[C@H](COS([O-])(=O)=O)[C@H](O)[C@H](O)[C@H]3O.[Na+] |
| Synonyms | 206443-06-3,
4-Methylumbelliferyl |A-D-galactopyranoside-6-sulfate sodium salt,
4-Methylumbelliferyl beta-D-Galactopyranoside-6-sulfate Sodium Salt,
CTK8E6601,
AKOS025394506,
4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt,
RT-009797,
FT-0672335,
W-201803,
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| Complexity | 721 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.351g/mol |
| Monoisotopic Mass | 440.039g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 180A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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