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Home > Boronic Acids > 111771-57-4
111771-57-4 | D-Phenylalanine, 4-borono-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 111771-57-4 Catalog No: AG0081ST MDL No:
Product Description
Catalog Number:
AG0081ST
Chemical Name:
D-Phenylalanine, 4-borono-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
111771-57-4
Molecular Formula:
C14H20BNO6
Molecular Weight:
309.1227
IUPAC Name:
(2R)-3-(4-boronophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H20BNO6/c1-14(2,3)22-13(19)16-11(12(17)18)8-9-4-6-10(7-5-9)15(20)21/h4-7,11,20-21H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key:
SGRRXMOSJYUMBY-LLVKDONJSA-N
SMILES:
OB(c1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C)O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
309.125g/mol
Monoisotopic Mass:
309.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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