(2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyicos-8-en-2-yl]tetracosanamide
PubChem CID: 102279958
Connections displayed (default: 10).
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| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 50.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 717.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyicos-8-en-2-yl]tetracosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 16.0 |
| Molecular Formula | C44H87NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UATBZUNZVILTAU-QZHBDNGUSA-N |
| Fcsp3 | 0.9318181818181818 |
| Logs | -2.099 |
| Rotatable Bond Count | 40.0 |
| Logd | 5.489 |
| Compound Name | (2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyicos-8-en-2-yl]tetracosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 709.658 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 709.658 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 710.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -11.872128399999998 |
| Inchi | InChI=1S/C44H87NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h29,31,40-43,46-49H,3-28,30,32-39H2,1-2H3,(H,45,50)/b31-29+/t40-,41+,42+,43-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO)[C@@H]([C@@H](CCC/C=C/CCCCCCCCCCC)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients