200,000+ products from a single source!
sales@angenechem.com
114832-72-3 | 4,6-Pyrimidinedicarboxylic acid, hexahydro-2-oxo-
CAS No: 114832-72-3 Catalog No: AG000FBU MDL No:
Product Description
Catalog Number:
AG000FBU
Chemical Name:
4,6-Pyrimidinedicarboxylic acid, hexahydro-2-oxo-
CAS Number:
114832-72-3
Molecular Formula:
C6H8N2O5
Molecular Weight:
188.1381
IUPAC Name:
2-oxo-1,3-diazinane-4,6-dicarboxylic acid
InChI:
InChI=1S/C6H8N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h2-3H,1H2,(H,9,10)(H,11,12)(H2,7,8,13)
InChI Key:
MTYSRYDOSXNPKP-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(NC(=O)N1)C(=O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
188.139g/mol
Monoisotopic Mass:
188.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Structures of ligand-free and inhibitor complexes of dihydroorotase from Escherichia coli: implications for loop movement in inhibitor design. | Journal of molecular biology 20070727 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.