Home Carboxys 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-3-b-D-ribofuranosyl-

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-3-b-D-ribofuranosyl-

CAS No.:
314-50-1
Catalog Number:
AG007JEX
Molecular Formula:
C10H12N2O8
Molecular Weight:
288.2109
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Product Description
Catalog Number:
AG007JEX
Chemical Name:
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-3-b-D-ribofuranosyl-
CAS Number:
314-50-1
Molecular Formula:
C10H12N2O8
Molecular Weight:
288.2109
MDL Number:
MFCD00057418
IUPAC Name:
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
InChI Key:
FKCRAVPPBFWEJD-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=O)[nH]c(=O)cc1C(=O)O
UNII:
B350MC02GZ
Properties
Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
288.059g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
288.212g/mol
Monoisotopic Mass:
288.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6  
Literature
Title Journal
Pyrophosphate interactions at the transition states of Plasmodium falciparum and human orotate phosphoribosyltransferases. Journal of the American Chemical Society 20100630
The effective molarity of the substrate phosphoryl group in the transition state for yeast OMP decarboxylase. Bioorganic chemistry 20050201
Synthesis of carbocyclic orotidine analogs as potential orotidine decarboxylase inhibitors. Nucleosides, nucleotides & nucleic acids 20011201
Successful living-donor liver transplantation from an asymptomatic carrier mother in ornithine transcarbamylase deficiency. The Journal of pediatrics 20010301
Effect of allopurinol and benzbromarone on the concentration of uridine in plasma. Metabolism: clinical and experimental 19971201
Properties