197895-54-8,MFCD19980865
Catalog No.:AA00AE4V

197895-54-8 | 2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate

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  • Properties
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Technical Information
Catalog Number:
AA00AE4V
Chemical Name:
2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
CAS Number:
197895-54-8
Molecular Formula:
C15H18Cl3NO10
Molecular Weight:
478.6631
MDL Number:
MFCD19980865
SMILES:
COC(=O)[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
680  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Literature
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SDS
Historical Records
Tags:197895-54-8 Molecular Formula|197895-54-8 MDL|197895-54-8 SMILES|197895-54-8 2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
Catalog No.: AA00AE4V
197895-54-8,MFCD19980865
197895-54-8 | 2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
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: AA00AE4V
Chemical Name: 2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
CAS Number: 197895-54-8
Molecular Formula: C15H18Cl3NO10
Molecular Weight: 478.6631
MDL Number: MFCD19980865
SMILES: COC(=O)[C@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Complexity: 680  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 5  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 11  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
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