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COCONUT Compound

Ara

CNP0207148.5 · C5H10O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameAra
IUPAC Name(3~{R},4~{S},5~{S})-tetrahydropyran-2,3,4,5-tetrol
COCONUT IDCNP0207148.5
CAS87-72-9
InChIKeySRBFZHDQGSBBOR-HWQSCIPKSA-N
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1
SMILESOC1OC[C@H](O)[C@H](O)[C@H]1O

Properties

Molecular FormulaC5H10O5
Molecular Weight150.13
Exact Mass150.05282
Log P (ALogP)-2.58
TPSA90.15
H-Bond Donors / Acceptors4 / 5
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.30
NP-likeness2.51

Classification

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

Reported in GR-MAPs Plants

Canabis Sativa as “Cannabis sativa” in COCONUT

References (28)

  1. 10.1002/JPS.2600561107
  2. 10.1002/JSFA.2740500106
  3. 10.1007/BF00575075
  4. 10.1007/BF00575717
  5. 10.1007/BF00597724
  6. 10.1007/BF00633415
  7. 10.1016/0031-9422(71)85055-0
  8. 10.1016/S0021-9673(01)88498-3
  9. 10.1016/S0031-9422(00)85491-6
  10. 10.1016/S0031-9422(00)88703-8
  11. 10.1016/S0031-9422(97)00478-0
  12. 10.1016/s1096-7192(02)00125-7
  13. 10.1021/JF60197A017
  14. 10.1021/NP50008A001
  15. 10.1021/NP50052A040
  16. 10.1038/MSB.2011.65
  17. 10.1038/msb.2011.65
  18. 10.1051/CTV/20163101031
  19. 10.1055/S-0028-1099548
  20. 10.1086/383204
  21. 10.1111/J.1365-2621.1988.TB13577.X
  22. 10.1248/BPB.31.1860
  23. 10.1248/YAKUSHI1947.94.12_1634
  24. 10.1371/journal.pone.0073076
  25. 10.1590/1809-4392200331110
  26. 10.4197/SCI.16-1.4
  27. 10.5586/ASBP.1979.002
  28. 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.