N-[(2R,3S,4R)-1,3,4-trihydroxytetradecan-2-yl]henicosanamide
PubChem CID: 162954747
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 89.8 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | N-[(2R,3S,4R)-1,3,4-trihydroxytetradecan-2-yl]henicosanamide |
| Prediction Hob | 0.0 |
| Xlogp | 12.8 |
| Molecular Formula | C35H71NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXLAFQZWMROZKU-POYCELQWSA-N |
| Fcsp3 | 0.9714285714285714 |
| Logs | -4.936 |
| Rotatable Bond Count | 32.0 |
| Logd | 4.864 |
| Compound Name | N-[(2R,3S,4R)-1,3,4-trihydroxytetradecan-2-yl]henicosanamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 569.538 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 569.538 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 569.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.508427200000003 |
| Inchi | InChI=1S/C35H71NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-34(39)36-32(31-37)35(40)33(38)29-27-25-23-12-10-8-6-4-2/h32-33,35,37-38,40H,3-31H2,1-2H3,(H,36,39)/t32-,33-,35+/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO)[C@@H]([C@@H](CCCCCCCCCC)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calendula Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients