|
Menu

COCONUT Compound

Vidarabine

CNP0216822.1 · C10H13N5O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameVidarabine
IUPAC Name(2~{R},3~{S},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
COCONUT IDCNP0216822.1
CAS5536-17-4
InChIKeyOIRDTQYFTABQOQ-UHTZMRCNSA-N
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

Properties

Molecular FormulaC10H13N5O4
Molecular Weight267.25
Exact Mass267.09675
Log P (ALogP)-1.98
TPSA139.54
H-Bond Donors / Acceptors4 / 9
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness1.31

Classification

NP PathwayCarbohydrates
NP SuperclassNucleosides
NP ClassPurine nucleos(t)ides
Chemical SuperclassNucleosides, nucleotides, and analogues
Chemical ClassPurine nucleosides
Chemical SubclassPurine nucleosides

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (8)

  1. 10.1007/BF01952539
  2. 10.1016/0003-9861(89)90039-8
  3. 10.1016/0008-6215(84)85339-2
  4. 10.1021/NP50122A023
  5. 10.1177/1934578x1200700511
  6. 10.7164/ANTIBIOTICS.32.1050
  7. 10.7164/ANTIBIOTICS.45.1914
  8. 10.7164/antibiotics.32.1050

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.