Home Other Building Blocks 5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-

5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-

CAS No.:
20964-06-1
Catalog Number:
AG002KCE
Molecular Formula:
C11H14N2O8
Molecular Weight:
302.2375
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Product Description
Catalog Number:
AG002KCE
Chemical Name:
5-Pyrimidineacetic acid, 1,2,3,4-tetrahydro-2,4-dioxo-1-β-D-ribofuranosyl-
CAS Number:
20964-06-1
Molecular Formula:
C11H14N2O8
Molecular Weight:
302.2375
IUPAC Name:
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
InChI:
InChI=1S/C11H14N2O8/c14-3-5-7(17)8(18)10(21-5)13-2-4(1-6(15)16)9(19)12-11(13)20/h2,5,7-8,10,14,17-18H,1,3H2,(H,15,16)(H,12,19,20)/t5-,7-,8-,10-/m1/s1
InChI Key:
FAWQJBLSWXIJLA-VPCXQMTMSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(CC(=O)O)c(=O)[nH]c1=O
Properties
Complexity:
505  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
302.075g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
302.239g/mol
Monoisotopic Mass:
302.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  
Literature
Title Journal
Conserved cysteine residues of GidA are essential for biogenesis of 5-carboxymethylaminomethyluridine at tRNA anticodon. Structure (London, England : 1993) 20090513
Properties