Boc-D-alaninyl Tosylate - CAS 352705-03-4
Catalog: |
BB072533 |
Product Name: |
Boc-D-alaninyl Tosylate |
CAS: |
352705-03-4 |
Synonyms: |
(R)-O-[(4-Methylphenyl)sulfonyl]-2-[(tert-butyloxycarbonyl)amino]propan-1-ol |
IUPAC Name: | (4-methylphenyl)sulfonyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
Description: | Boc-D-alaninyl Tosylate |
Molecular Weight: | 329.41 |
Molecular Formula: | C15H23NO5S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C(C)NC(=O)OC(C)(C)C |
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 |
Complexity: | 523 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.10895856 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.10895856 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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