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Lifitegrast impurity 6 (Standard)

CAT: 0804-HY-23529RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-23529RSize:1 Each
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Description
(S) -2-Amino-3- (3- (methylsulfonyl) phenyl) propanoic acid (Standard) is the analytical standard of (S) -2-Amino-3- (3- (methylsulfonyl) phenyl) propanoic acid. This product is intended for research and analytical applications.
CAS Number
1270093-99-6
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
N[C@@H](CC1=CC=CC(S(=O)(C)=O)=C1)C(O)=O
Molecular Formula
C10H13NO4S
Molecular Weight
243.28
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

(2S)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid
CAS Number1270093-99-6
PubChem CID89944381
IUPAC Name(2S)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid
Molecular FormulaC10H13NO4S
Molecular Weight243.28
XLogP-2.2
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity346
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H13NO4S/c1-16(14,15)8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
QKZNLZTVEVNSPE-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-amino-3-(3-methylsulfonylphenyl)propanoic acid
CAS: 1270093-99-6
CID: 89944381
Formula: C10H13NO4S
MW: 243.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.28
XLogP3-2.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass243.05652907
Monoisotopic Mass243.05652907
Topological Polar Surface Area106 Ų
Heavy Atom Count16
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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