(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxynonacosan-2-yl]pentacosanamide
PubChem CID: 162968910
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 110.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 60.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 826.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxynonacosan-2-yl]pentacosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 22.3 |
| Molecular Formula | C54H109NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMHUDFPEKWNWNR-BBLCPNEVSA-N |
| Fcsp3 | 0.9814814814814816 |
| Logs | -4.282 |
| Rotatable Bond Count | 51.0 |
| Logd | 5.623 |
| Compound Name | (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxynonacosan-2-yl]pentacosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 851.831 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 851.831 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 852.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -16.028801599999994 |
| Inchi | InChI=1S/C54H109NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-51(57)53(59)50(49-56)55-54(60)52(58)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h50-53,56-59H,3-49H2,1-2H3,(H,55,60)/t50-,51+,52+,53-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)[C@@H](CCCCCCCCCCCCCCCCCCCCCCC)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients