4- (4, 4, 5, 5- Tetramethyl- 1, 3, 2- dioxaborolan- 2- yl) - L- phenylalanine Hydrochloride - CAS 1060765-21-0

Catalog:	BB056890
Product Name:	4- (4, 4, 5, 5- Tetramethyl- 1, 3, 2- dioxaborolan- 2- yl) - L- phenylalanine Hydrochloride
CAS:	1060765-21-0
Synonyms:	(S)-2-Amino-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid hydrochloride; (2S)-2-amino-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid; hydrochloride; (S)-2-Amino-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoicacidhydrochloride

Technical Data

IUPAC Name:	(2S)-2-amino-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acidhydrochloride
Description:	4- (4, 4, 5, 5- Tetramethyl- 1, 3, 2- dioxaborolan- 2- yl) - L- phenylalanine Hydrochloride is a reactant used in the preparation of boronic acid- peptide hybrids for used as carbohydrate sensors and cell diagnostics.
Molecular Weight:	291.15 + (36.46)
Molecular Formula:	C15H22BNO4·HCl
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(C(=O)O)N.Cl
InChI:	InChI=1S/C15H22BNO4.ClH/c1-14(2)15(3,4)21-16(20-14)11-7-5-10(6-8-11)9-12(17)13(18)19/h5-8,12H,9,17H2,1-4H3,(H,18,19)1H/t12-/m0./s1
InChI Key:	FMGIVJAJUJZJEN-YDALLXLXSA-N
References:	Duggan, P. et al. Aus. J. Chem., 60, 829 (2007).

Complexity:	375
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	327.1408661
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	327.1408661
Rotatable Bond Count:	4
Topological Polar Surface Area:	81.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0