This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone

PubChem CID: 10627322

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms CHEMBL450539, DTXSID401102580, (5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone, 172488-91-4
Topological Polar Surface Area 113.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 766.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 6.0
Iupac Name (2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one
Prediction Hob 0.0
Xlogp 7.9
Molecular Formula C35H62O7
Prediction Swissadme 0.0
Inchi Key WVAPCAKZINGVII-WOHTVGPXSA-N
Fcsp3 0.8857142857142857
Logs -5.287
Rotatable Bond Count 26.0
Logd 4.714
Compound Name (5S)-3-[(2R,13R)-2,13-Dihydroxy-8-oxo-13-[(2R,5S)-tetrahydro-5-[(1S)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone
Prediction Hob Swissadme 0.0
Exact Mass 594.45
Formal Charge 0.0
Monoisotopic Mass 594.45
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 594.9
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Esol -6.795518800000004
Inchi InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32+,33-,34+/m0/s1
Smiles CCCCCCCCCCCC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCCCC(=O)CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amberboa Muricata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Annona Atemoya (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Annona Bullata (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Annona Cherimolia (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Annona Cornifolia (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Annona Haematantha (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Annona Impressivenia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Annona Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Annona Purpurea (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Annona Rensoniana (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Annona Reticulata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Annona Spinescens (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Annona Squamosa (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Annona Stenophylla (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aralia Montana (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Arnica Montana (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Banisteriopsis Muricata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Bassia Muricata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Bridelia Montana (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Briedelia Montana (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Cassia Montana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Clematis Montana (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Corydalis Montana (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Digera Muricata (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Diospyros Montana (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Glycosmis Montana (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Gymnosporia Montana (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Jasione Montana (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Jasonia Montana (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Jatropha Montana (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Knautia Montana (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Maesa Montana (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Magnolia Montana (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Oxytropis Muricata (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Pueraria Montana (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Ruta Montana (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Senna Montana (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Vernicia Montana (Plant) Rel Props:Reference:
Back to Browse   Back to Home