Octacosyl docosanoate
PubChem CID: 13908827
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | OCTACOSYL DOCOSANOATE, 21511-31-9, DTXSID50552342, octacosanyl behenate, OCTACOSYLDOCOSANOATE, SCHEMBL4624990, DTXCID80503125 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 52.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 630.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosyl docosanoate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 24.9 |
| Is Pains | False |
| Molecular Formula | C50H100O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UCTMJUYTYVQCQC-UHFFFAOYSA-N |
| Fcsp3 | 0.98 |
| Rotatable Bond Count | 48.0 |
| Compound Name | Octacosyl docosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 732.772 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 732.772 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 733.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -16.9183576 |
| Inchi | InChI=1S/C50H100O2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-34-32-30-22-20-18-16-14-12-10-8-6-4-2/h3-49H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atherosperma Moschatum (Plant) Rel Props:Source_db:cmaup_ingredients