77605-75-5,MFCD31563325
Catalog No.:AA00G4OA

77605-75-5 | 1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid

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  • Properties
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Technical Information
Catalog Number:
AA00G4OA
Chemical Name:
1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
CAS Number:
77605-75-5
Molecular Formula:
C20H20ClNO8
Molecular Weight:
437.8277
MDL Number:
MFCD31563325
SMILES:
OC(=O)[C@H]1O[C@@H](OC(=O)c2ccccc2Nc2cccc(c2C)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
622  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Literature
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SDS
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Tags:77605-75-5 Molecular Formula|77605-75-5 MDL|77605-75-5 SMILES|77605-75-5 1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
Catalog No.: AA00G4OA
77605-75-5,MFCD31563325
77605-75-5 | 1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00G4OA
Chemical Name: 1-[2-[(3-Chloro-2-Methylphenyl)aMino]benzoate] β-D-Glucopyranuronic Acid
CAS Number: 77605-75-5
Molecular Formula: C20H20ClNO8
Molecular Weight: 437.8277
MDL Number: MFCD31563325
SMILES: OC(=O)[C@H]1O[C@@H](OC(=O)c2ccccc2Nc2cccc(c2C)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity: 622  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
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