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940002-59-5,MFCD11977927
Catalog No.:AA005W0J

940002-59-5 | Sitagliptin Carbamoyl β-D-Glucuronide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥90%
in stock  
$608.00   $425.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA005W0J
Chemical Name:
Sitagliptin Carbamoyl β-D-Glucuronide
CAS Number:
940002-59-5
Molecular Formula:
C23H23F6N5O9
Molecular Weight:
627.4472
MDL Number:
MFCD11977927
SMILES:
O=C(O[C@H]1OC(C(=O)O)[C@@H]([C@H]([C@H]1O)O)O)N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F
Properties
Computed Properties
 
Complexity:
1030  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.5  

Literature
Quotation Request
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SDS
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1179928-66-5
Tags:940002-59-5 Molecular Formula|940002-59-5 MDL|940002-59-5 SMILES|940002-59-5 Sitagliptin Carbamoyl β-D-Glucuronide
Catalog No.: AA005W0J
940002-59-5,MFCD11977927
940002-59-5 | Sitagliptin Carbamoyl β-D-Glucuronide
Pack Size： 1mg
Purity： ≥90%
in stock
$608.00 $425.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA005W0J
Chemical Name: Sitagliptin Carbamoyl β-D-Glucuronide
CAS Number: 940002-59-5
Molecular Formula: C23H23F6N5O9
Molecular Weight: 627.4472
MDL Number: MFCD11977927
SMILES: O=C(O[C@H]1OC(C(=O)O)[C@@H]([C@H]([C@H]1O)O)O)N[C@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F
Properties
Complexity: 1030  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 6  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 43  
Hydrogen Bond Acceptor Count: 17  
Hydrogen Bond Donor Count: 5  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.5  
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