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.

(2R)-4-[[(2S,5S)-5-[(8S)-8-hydroxy-8-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one

PubChem CID: 163095097

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

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 102.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 42.0
Isotope Atom Count 0.0
Molecular Complexity 811.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (2R)-4-[[(2S,5S)-5-[(8S)-8-hydroxy-8-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one
Prediction Hob 0.0
Xlogp 7.9
Molecular Formula C35H60O7
Prediction Swissadme 0.0
Inchi Key WDZXYNFQDMBPPE-MSDMTHFISA-N
Fcsp3 0.8857142857142857
Logs -4.717
Rotatable Bond Count 23.0
Logd 4.404
Compound Name (2R)-4-[[(2S,5S)-5-[(8S)-8-hydroxy-8-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-2-oxooctyl]oxolan-2-yl]methyl]-2-methyl-2H-furan-5-one
Prediction Hob Swissadme 0.0
Exact Mass 592.434
Formal Charge 0.0
Monoisotopic Mass 592.434
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 592.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -6.993619600000003
Inchi InChI=1S/C35H60O7/c1-3-4-5-6-7-8-9-10-11-14-17-31(37)33-21-22-34(42-33)32(38)18-15-12-13-16-28(36)25-30-20-19-29(41-30)24-27-23-26(2)40-35(27)39/h23,26,29-34,37-38H,3-22,24-25H2,1-2H3/t26-,29+,30+,31-,32+,33+,34+/m1/s1
Smiles CCCCCCCCCCCC[C@H]([C@@H]1CC[C@H](O1)[C@H](CCCCCC(=O)C[C@@H]2CC[C@H](O2)CC3=C[C@H](OC3=O)C)O)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Alstonia Angustiloba (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Artemisia Pectinata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Baccharis Grandicapitulata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Beesia Calthifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Boschniakia Rossica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Botrychium Ternatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Bursera Kerberi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Clinacanthus Nutans (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Coffea Liberica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Crotalaria Stolzii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Curcuma Aeruginosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Delphinium Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Eucalyptus Albens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Euonymus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Euploca Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Gutierrezia Dracunculoides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Hedysarum Gmelini (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Helenium Integrifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Juniperus Scopulorum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 22. Outgoing r'ship FOUND_IN to/from Lasianthaea Podocephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 23. Outgoing r'ship FOUND_IN to/from Lupinus Cosentinii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Melampodium Leucanthum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 25. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 26. Outgoing r'ship FOUND_IN to/from Pellacalyx Axillaris (Plant) Rel Props:Source_db:cmaup_ingredients
  • 27. Outgoing r'ship FOUND_IN to/from Phlomis Crinita (Plant) Rel Props:Source_db:cmaup_ingredients
  • 28. Outgoing r'ship FOUND_IN to/from Piper Brachystachyum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 29. Outgoing r'ship FOUND_IN to/from Psidium Acutangulum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 30. Outgoing r'ship FOUND_IN to/from Renealmia Alpinia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 31. Outgoing r'ship FOUND_IN to/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 32. Outgoing r'ship FOUND_IN to/from Selinum Libanotis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 33. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 34. Outgoing r'ship FOUND_IN to/from Sideritis Dasygnaphala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 35. Outgoing r'ship FOUND_IN to/from Stellaria Media (Plant) Rel Props:Source_db:cmaup_ingredients
  • 36. Outgoing r'ship FOUND_IN to/from Tephroseris Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 37. Outgoing r'ship FOUND_IN to/from Zephyranthes Flava (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home