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COCONUT Compound

uridine

CNP0230441.2 · C9H12N2O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Nameuridine
IUPAC Name1-[(2~{R},3~{R},4~{S},5~{R})-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
COCONUT IDCNP0230441.2
CAS58-96-8, 92487-68-8
InChIKeyDRTQHJPVMGBUCF-XVFCMESISA-N
InChIInChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
SMILESO=C1C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

Properties

Molecular FormulaC9H12N2O6
Molecular Weight244.20
Exact Mass244.06954
Log P (ALogP)-2.85
TPSA124.78
H-Bond Donors / Acceptors4 / 7
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.44
NP-likeness1.49

Classification

NP PathwayCarbohydrates
NP SuperclassNucleosides
NP ClassPyrimidine nucleos(t)ides
Chemical SuperclassNucleosides, nucleotides, and analogues
Chemical ClassPyrimidine nucleosides
Chemical SubclassPyrimidine nucleosides

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (64)

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  3. 10.1002/JCCS.199900010
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  8. 10.1007/S11306-016-1051-4
  9. 10.1016/0031-9422(93)85120-G
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  20. 10.1016/S0031-9422(97)00362-2
  21. 10.1016/S0367-326X(01)00279-9
  22. 10.1016/j.foodres.2017.10.005
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  27. 10.1021/JF0502202
  28. 10.1021/JF061404Z
  29. 10.1021/JM031092G
  30. 10.1021/NP060476H
  31. 10.1021/NP060476H.S001
  32. 10.1021/NP0605182
  33. 10.1021/NP50117A007
  34. 10.1021/NP900085N
  35. 10.1021/NP970358H
  36. 10.1021/NP990494H
  37. 10.1021/jf0502202
  38. 10.1038/MSB.2011.65
  39. 10.1038/NBT.2488
  40. 10.1055/S-1999-14055

Showing 40 of 64. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.