Home Other Building Blocks 3,3'-(Tosylazanediyl)dipropanoic acid

3,3'-(Tosylazanediyl)dipropanoic acid

CAS No.:
5446-58-2
Catalog Number:
AG003TC3
Molecular Formula:
C13H17NO6S
Molecular Weight:
315.3422
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Product Description
Catalog Number:
AG003TC3
Chemical Name:
3,3'-(Tosylazanediyl)dipropanoic acid
CAS Number:
5446-58-2
Molecular Formula:
C13H17NO6S
Molecular Weight:
315.3422
MDL Number:
MFCD00045941
IUPAC Name:
3-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]propanoic acid
InChI:
InChI=1S/C13H17NO6S/c1-10-2-4-11(5-3-10)21(19,20)14(8-6-12(15)16)9-7-13(17)18/h2-5H,6-9H2,1H3,(H,15,16)(H,17,18)
InChI Key:
LBANXBGLPMAEBA-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(S(=O)(=O)c1ccc(cc1)C)CCC(=O)O
EC Number:
226-660-1
NSC Number:
17334
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.078g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.34g/mol
Monoisotopic Mass:
315.078g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties