| CAS Number | 352705-03-4 |
| Catalog Number | AG00I705(AGN-PC-0RAOBF) |
| Chemical Name | Boc-D-Alaninyl tosylate |
| IUPAC Name | (4-methylphenyl)sulfonyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C15H21NO6S/c1-10-6-8-12(9-7-10)23(19,20)22-13(17)11(2)16-14(18)21-15(3,4)5/h6-9,11H,1-5H3,(H,16,18)/t11-/m1/s1 |
| InChI Key | QUSKPZSSZRGCGD-LLVKDONJSA-N |
| MDL Number | MFCD29477656 |
| Molecular Formula | C15H23NO5S |
| Molecular Weight | 329.4118 |
| SMILES | C[C@@H](NC(=O)OC(C)(C)C)COS(=O)(=O)c1ccc(cc1)C |
| Synonyms | Boc-D-Alaninyl tosylate,
352705-03-4,
AKOS026673676,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.394g/mol |
| Monoisotopic Mass | 343.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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