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131-83-9 | 2'-Uridylic acid
CAS No: 131-83-9 Catalog No: AG000VB5 MDL No:
Product Description
Catalog Number:
AG000VB5
Chemical Name:
2'-Uridylic acid
CAS Number:
131-83-9
Molecular Formula:
C9H13N2O9P
Molecular Weight:
324.1813
IUPAC Name:
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
InChI:
InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI Key:
HQIDPEYTETUCNF-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1ccc(=O)[nH]c1=O
EC Number:
205-040-4
UNII:
ATU41D776Z
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
324.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
324.182g/mol
Monoisotopic Mass:
324.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
Literature
| Title | Journal |
|---|---|
| Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors. | European journal of medicinal chemistry 20091101 |
| Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation. | Journal of medicinal chemistry 20090226 |
| Solid-state NMR investigation of sodium nucleotide complexes. | Magnetic resonance in chemistry : MRC 20060301 |
| High-resolution crystal structures of ribonuclease A complexed with adenylic and uridylic nucleotide inhibitors. Implications for structure-based design of ribonucleolytic inhibitors. | Protein science : a publication of the Protein Society 20031101 |
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