Home Sulfos Alanine, 3-sulfo-

Alanine, 3-sulfo-

CAS No.:
13100-82-8
Catalog Number:
AG000VC0
Molecular Formula:
C3H7NO5S
Molecular Weight:
169.1564
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Product Description
Catalog Number:
AG000VC0
Chemical Name:
Alanine, 3-sulfo-
CAS Number:
13100-82-8
Molecular Formula:
C3H7NO5S
Molecular Weight:
169.1564
MDL Number:
MFCD00007524
IUPAC Name:
2-amino-3-sulfopropanoic acid
InChI:
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChI Key:
XVOYSCVBGLVSOL-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CS(=O)(=O)O)N
NSC Number:
254030
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
169.151g/mol
Monoisotopic Mass:
169.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5  
Literature
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Properties