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Home > Boronic Acids > 222638-67-7
222638-67-7 | S-(2-BORONOETHYL)-L-CYSTEINE HYDROCHLORIDE
CAS No: 222638-67-7 Catalog No: AG00BBTG MDL No:
Product Description
Catalog Number:
AG00BBTG
Chemical Name:
S-(2-BORONOETHYL)-L-CYSTEINE HYDROCHLORIDE
CAS Number:
222638-67-7
Molecular Formula:
C5H13BClNO4S
Molecular Weight:
229.4900
IUPAC Name:
(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C5H12BNO4S.ClH/c7-4(5(8)9)3-12-2-1-6(10)11;/h4,10-11H,1-3,7H2,(H,8,9);1H/t4-;/m0./s1
InChI Key:
GHPYJLCQYMAXGG-WCCKRBBISA-N
SMILES:
OB(CCSCC(C(=O)O)N)O.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
229.482g/mol
Monoisotopic Mass:
229.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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