Batilol, (R)-
PubChem CID: 10831326
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Batilol, (R)-, 10567-22-3, (2R)-3-octadecoxypropane-1,2-diol, 3-O-Octadecyl sn-Glycerol, U43W9B128S, UNII-U43W9B128S, 1,2-Propanediol, 3-(octadecyloxy)-, (2R)-, C14-22 Monoglycerides, 3-o-octadecyl-sn-glycerol, EINECS 273-607-3, 3-octadecyl-sn-glycerol, SCHEMBL3723756, OGBUMNBNEWYMNJ-OAQYLSRUSA-N, CCG-36356 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-3-octadecoxypropane-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C21H44O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGBUMNBNEWYMNJ-OAQYLSRUSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.289 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.981 |
| Compound Name | Batilol, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.329 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.329 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 344.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.450696000000001 |
| Inchi | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCOC[C@@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Astragalus Sevangensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Elsholtzia Blanda (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eupatorium Sternbergianum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Gynochthodes Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Polanisia Dodecandra (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients