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3080-47-5,MFCD30187153
Catalog No.:AA00C2A4

3080-47-5 | Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester

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Technical Information
Catalog Number:
AA00C2A4
Chemical Name:
Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester
CAS Number:
3080-47-5
Molecular Formula:
C20H24O10
Molecular Weight:
424.3986
MDL Number:
MFCD30187153
SMILES:
COC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
627  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
10  
Rotatable Bond Count:
11  
XLogP3:
1.2  

Literature
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Additional Info:
SDS
Tags:3080-47-5 Molecular Formula|3080-47-5 MDL|3080-47-5 SMILES|3080-47-5 Benzyl β-D-Glucopyranosiduronic Acid Methyl Ester