| CAS Number | 660839-03-2 |
| Catalog Number | AG00FEV0(AGN-PC-0TJE7R) |
| Chemical Name | Sodium (2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl sulfate |
| IUPAC Name | sodium;[(2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] sulfate |
| InChI | InChI=1S/C8H15NO9S.Na/c1-4(12)9-5(2-10)7(14)8(6(13)3-11)18-19(15,16)17;/h2,5-8,11,13-14H,3H2,1H3,(H,9,12)(H,15,16,17);/q;+1/p-1/t5-,6+,7+,8-;/m0./s1 |
| InChI Key | HLHKQQNDEAKHNF-SZPCUAKFSA-M |
| MDL Number | MFCD14702330 |
| Molecular Formula | C8H14NNaO9S |
| Molecular Weight | 323.2528 |
| SMILES | S(=O)(=O)(O[C@@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(C)=O)O)[O-].[Na+] |
| Synonyms | 660839-03-2,
N-Acetyl-D-galactosamine-4-O-sulphate sodium salt,
Sodium (2R,3R,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl sulfate,
SCHEMBL2230543,
N-Acetyl-D-galactosamine 4-sulfate sodium salt, mixed anomers,
J-009403,
W-203449,
N-Acetyl-D-galactosamine-4-O-sulphatesodiumsalt,
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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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