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116709-49-0 | L-Asparagine, N-(2-sulfoethyl)-
CAS No: 116709-49-0 Catalog No: AG000D5M MDL No:
Product Description
Catalog Number:
AG000D5M
Chemical Name:
L-Asparagine, N-(2-sulfoethyl)-
CAS Number:
116709-49-0
Molecular Formula:
C6H12N2O6S
Molecular Weight:
240.2343
IUPAC Name:
4-amino-4-oxo-2-(2-sulfoethylamino)butanoic acid
InChI:
InChI=1S/C6H12N2O6S/c7-5(9)3-4(6(10)11)8-1-2-15(12,13)14/h4,8H,1-3H2,(H2,7,9)(H,10,11)(H,12,13,14)
InChI Key:
QUHCSRUKTMXAPF-UHFFFAOYSA-N
SMILES:
NC(=O)C[C@@H](C(=O)O)NCCS(=O)(=O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
240.23g/mol
Monoisotopic Mass:
240.042g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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