AG005Y45

76410-58-7 | (S)-2-Amino-3-(4-boronophenyl)propanoic acid

AG005Y45

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CAS Number	76410-58-7
Catalog Number	AG005Y45(AGN-PC-0OHTAI)
Chemical Name	(S)-2-Amino-3-(4-boronophenyl)propanoic acid
IUPAC Name	(2S)-2-amino-3-(4-boronophenyl)propanoic acid
InChI	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key	NFIVJOSXJDORSP-QMMMGPOBSA-N
MDL Number	MFCD01075172
Molecular Formula	C9H12BNO4
Molecular Weight	209.0069
SMILES	O=C(O)[C@@H](N)CC1=CC=C(B(O)O)C=C1
UNII	JSM63LV5MD
Synonyms	4-boronophenylalanine, 4-boronophenylalanine hydrochloride, 4-boronophenylalanine hydrochloride, (10)B, 4-boronophenylalanine, (10)B, L-(10)BPA, L-(4-(10)boronophenyl)alanine, p-boronophenylalanine, p-BPA compound, p-BPA cpd, para-borono-L-phenylalanine, para-boronophenylalanine, 4-Borono-L-phenylalanine, 76410-58-7, (s)-2-amino-3-(4-boronophenyl)propanoic acid, 4-Boronophenylalanine, p-Boronophenylalanine, para-Boronophenylalanine, 10B-Bpa, UNII-JSM63LV5MD, para-Borono-L-phenylalanine, MFCD01075172, JSM63LV5MD, L-Phenylalanine,4-borono-, L-Phenylalanine, 4-borono-, (2S)-2-amino-3-(4-boronophenyl)propanoic acid, 4-Borono-L-phenylalanine, 97%, (2S)-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid, 4-(Borono-10B)-L-phenylalanine, Phenylalanine, 4-borono-, 3-(p-Boronophenyl)alanine, L-4-Phenylalanineboronic acid, 4-(dihydroxyboryl)phenylalanine, Alanine, 3-(p-boronophenyl)-, AK139317, PubChem7902, p-(2-Amino-2-carboxyethyl)benzeneboronic acid, l-phe[b(oh)2], 4-(2-amino-2-carboxyethyl)benzeneboronic acid, l-4-boronophenylalanine, Benzeneboronic acid, p-(2-amino-2-carboxyethyl)-, L-para-boronophenylalanine, (S)-4-boronophenylalanine, AC1Q4U7I, SCHEMBL204496, (s)-4-borono-l-phenylalanine, AC1L442X, CHEMBL125582, CTK5E2918, DTXSID70227242, NFIVJOSXJDORSP-QMMMGPOBSA-N, ZX-AT022189, (s)-(4-boronic acid)-phenylalanine, AKOS022172460, ZINC169743223, AB08136, DS-6558, OR60018, RP09407, VZ28407, AC-30249, LS-15909, N858, AX8006876, DB-056057, LS-105775, TX-010481, FT-0617689, ST24035968, 4-Borono-L-phenylalanine, >=95.0% (HPLC), Z-2483, (2S)-2-amino-3-(4-boronophenyl)propionic acid, A838693, A843586, J-513654, J-514524, I14-25812, (2S)-2-amino-3-[4-(dihydroxyboranyl)phenyl]propanoic acid, (2S)-2-amino-3-[4-(dihydroxyboryl)phenyl]propanoic acid, UNII-UID84303EL component NFIVJOSXJDORSP-QMMMGPOBSA-N, 7N8, boronophenylalanine, 4-Borono-DL-phenylalanine, C9H12BNO4, C9N12BNO4, C9-N12-B-N-O4, CID150315, 90580-64-6, BPA,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	209.086g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	209.008g/mol
Monoisotopic Mass	209.086g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number