| CAS Number | 204575-07-5 |
| Catalog Number | AG0029KN(AGN-PC-0QULG9) |
| Chemical Name | Sodium (2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl sulfate |
| IUPAC Name | sodium;[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] sulfate |
| InChI | InChI=1S/C8H15NO9S.Na/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17;/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H,15,16,17);/q;+1/p-1/t5-,6+,7+,8-;/m0./s1 |
| InChI Key | BLIIVRKKAXFSRM-SZPCUAKFSA-M |
| MDL Number | MFCD14702331 |
| Molecular Formula | C8H14NNaO9S |
| Molecular Weight | 323.2528 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O[Na])[C@H](O)[C@@H]1O |
| Synonyms | 204575-07-5,
N-Acetyl-D-galactosamine-6-O-sulphate sodium salt,
Sodium (2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl sulfate,
W-201785,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.248g/mol |
| Monoisotopic Mass | 323.029g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 182A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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