(9R)-nonacosan-9-ol
PubChem CID: 162950760
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9R)-nonacosan-9-ol |
| Prediction Hob | 0.0 |
| Xlogp | 14.0 |
| Molecular Formula | C29H60O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DMKXSPKPAVCGKE-GDLZYMKVSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.797 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.003 |
| Compound Name | (9R)-nonacosan-9-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.464 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.5966476 |
| Inchi | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(30)27-25-23-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Caudatum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bryum Rutilans (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hedysarum Multijugum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Phlomis Regelii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Smilax Glabra (Plant) Rel Props:Source_db:cmaup_ingredients