Home Carbonyls L-Phenylalanine, n-[(1,1-dimethylethoxy)carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

L-Phenylalanine, n-[(1,1-dimethylethoxy)carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No.:
216439-76-8
Catalog Number:
AG00BF7K
Molecular Formula:
C20H30BNO6
Molecular Weight:
391.2663
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Product Description
Catalog Number:
AG00BF7K
Chemical Name:
L-Phenylalanine, n-[(1,1-dimethylethoxy)carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
216439-76-8
Molecular Formula:
C20H30BNO6
Molecular Weight:
391.2663
MDL Number:
MFCD03412130
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid
InChI:
InChI=1S/C20H30BNO6/c1-18(2,3)26-17(25)22-15(16(23)24)12-13-8-10-14(11-9-13)21-27-19(4,5)20(6,7)28-21/h8-11,15H,12H2,1-7H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChI Key:
QEDPTINTWPOCHA-HNNXBMFYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
391.217g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
391.271g/mol
Monoisotopic Mass:
391.217g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties