| CAS Number | 145447-78-5 |
| Catalog Number | AG007YRX(AGN-PC-0PX4VZ) |
| Chemical Name | N-Acetyllactosamine 6-Sulfate Sodium Salt, 90% |
| IUPAC Name | sodium;[(3S,4R,5S,6R)-5-acetamido-4,6-dihydroxy-3-[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl sulfate |
| InChI | InChI=1S/C14H25NO14S.Na/c1-4(17)15-7-9(19)12(6(27-13(7)22)3-26-30(23,24)25)29-14-11(21)10(20)8(18)5(2-16)28-14;/h5-14,16,18-22H,2-3H2,1H3,(H,15,17)(H,23,24,25);/q;+1/p-1/t5?,6?,7-,8-,9+,10-,11-,12+,13+,14-;/m0./s1 |
| InChI Key | HYBYWGBGWQCPKW-NVKSKNAHSA-M |
| MDL Number | MFCD23160317 |
| Molecular Formula | C14H24NNaO14S |
| Molecular Weight | 485.3934 |
| SMILES | [Na+].CC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| Synonyms | N-Acetyllactosamine 6-Sulfate Sodium Salt,
145447-78-5,
CTK8F1179,
AKOS030254516,
RT-014247,
|
| Complexity | 691 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 485.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 485.389g/mol |
| Monoisotopic Mass | 485.082g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 253A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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