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COCONUT Compound

DL-Xylose

CNP0260454.3 · C5H10O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameDL-Xylose
IUPAC Name(2~{R},3~{S},4~{R})-2,3,4,5-tetrahydroxypentanal
COCONUT IDCNP0260454.3
CAS25990-60-7, 41247-05-6, 31178-70-8, 141492-19-5, 25702-75-4
InChIKeyPYMYPHUHKUWMLA-VPENINKCSA-N
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)CO

Properties

Molecular FormulaC5H10O5
Molecular Weight150.13
Exact Mass150.05282
Log P (ALogP)-2.74
TPSA97.99
H-Bond Donors / Acceptors4 / 5
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.33
NP-likeness2.46

Classification

NP PathwayCarbohydrates
NP SuperclassSaccharides
NP ClassMonosaccharides
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbohydrates and carbohydrate conjugates

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT

References (27)

  1. 10.1002/JSFA.2740500106
  2. 10.1007/BF00597724
  3. 10.1007/BF01100201
  4. 10.1007/S11306-015-0840-5
  5. 10.1007/S11306-016-1051-4
  6. 10.1016/0008-6215(84)85339-2
  7. 10.1016/0031-9422(93)85344-q
  8. 10.1016/J.CARBPOL.2014.10.019
  9. 10.1016/S0021-9673(01)88498-3
  10. 10.1016/S0031-9422(00)85498-9
  11. 10.1016/S0031-9422(97)00478-0
  12. 10.1021/JF00071A015
  13. 10.1021/NP50008A001
  14. 10.1038/NBT.2488
  15. 10.1039/CT9140500767
  16. 10.1055/S-0028-1099548
  17. 10.1055/S-0028-1099567
  18. 10.1071/ch9702353
  19. 10.1089/ind.2013.0013
  20. 10.1111/J.1365-2621.1980.TB02616.X
  21. 10.1111/J.1365-2621.1988.TB13577.X
  22. 10.1248/YAKUSHI1947.94.12_1634
  23. 10.1271/BBB.61.1734
  24. 10.1590/1809-4392200331110
  25. 10.5586/ASBP.1977.015
  26. 10.5586/ASBP.1979.002
  27. 10.5586/ASBP.1984.048

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.