Home Sulfos methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfopropanoate

methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfopropanoate

CAS No.:
1989638-24-5
Catalog Number:
AG01B6A2
Molecular Formula:
C12H14ClNO6S
Molecular Weight:
335.7607
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Product Description
Catalog Number:
AG01B6A2
Chemical Name:
methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfopropanoate
CAS Number:
1989638-24-5
Molecular Formula:
C12H14ClNO6S
Molecular Weight:
335.7607
MDL Number:
MFCD30342787
IUPAC Name:
3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C12H15NO7S/c1-19-11(14)10(8-21(16,17)18)13-12(15)20-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)(H,16,17,18)
InChI Key:
ZOYDVTMNUKPKQP-UHFFFAOYSA-N
SMILES:
COC(=O)[C@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.057g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
317.312g/mol
Monoisotopic Mass:
317.057g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties