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Home > Boronic Acids > 335030-22-3
335030-22-3 | Phenylalanine, N-[(1,1-diMethylethoxy)carbonyl]-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
CAS No: 335030-22-3 Catalog No: AG00D4Q6 MDL No:MFCD30834475
Product Description
Catalog Number:
AG00D4Q6
Chemical Name:
Phenylalanine, N-[(1,1-diMethylethoxy)carbonyl]-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, Methyl ester
CAS Number:
335030-22-3
Molecular Formula:
C21H32BNO6
Molecular Weight:
405.2929
MDL Number:
MFCD30834475
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
InChI:
InChI=1S/C21H32BNO6/c1-19(2,3)27-18(25)23-16(17(24)26-8)13-14-9-11-15(12-10-14)22-28-20(4,5)21(6,7)29-22/h9-12,16H,13H2,1-8H3,(H,23,25)
InChI Key:
OGZJASWLLYAZIA-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.232g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
405.298g/mol
Monoisotopic Mass:
405.232g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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