Home Sulfos L-N-Butylsulfonyl-p-hydroxyphenylalanine

L-N-Butylsulfonyl-p-hydroxyphenylalanine

CAS No.:
149490-60-8
Catalog Number:
AG001LRI
Molecular Formula:
C13H19NO5S
Molecular Weight:
301.3587
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Product Description
Catalog Number:
AG001LRI
Chemical Name:
L-N-Butylsulfonyl-p-hydroxyphenylalanine
CAS Number:
149490-60-8
Molecular Formula:
C13H19NO5S
Molecular Weight:
301.3587
MDL Number:
MFCD07782139
IUPAC Name:
(2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C13H19NO5S/c1-2-3-8-20(18,19)14-12(13(16)17)9-10-4-6-11(15)7-5-10/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17)/t12-/m0/s1
InChI Key:
VCKJOKXXEIQENI-LBPRGKRZSA-N
SMILES:
CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
301.098g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
301.357g/mol
Monoisotopic Mass:
301.098g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties