Hexacosyl tetracosanoate
PubChem CID: 5315798
Connections displayed (default: 10).
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| Compound Synonyms | hexacosyl tetracosanoate, Hexacosanyl tetracosanoate, N-Hexacosyl N-tetracosanoate, 9ASK20GT06, Tetracosanoic acid, hexacosyl ester, 121878-03-3, UNII-9ASK20GT06, hexacosyltetracosanoate, Hexacosyl tetracosanoic acid, SCHEMBL21044623, Q27272279 |
|---|---|
| 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 | hexacosyl tetracosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 24.9 |
| Molecular Formula | C50H100O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMCKMHHQCQXGSC-UHFFFAOYSA-N |
| Fcsp3 | 0.98 |
| Logs | -9.033 |
| Rotatable Bond Count | 48.0 |
| Logd | 5.964 |
| Compound Name | Hexacosyl tetracosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 732.772 |
| Formal Charge | 0.0 |
| 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/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-31-33-35-37-39-41-43-45-47-49-52-50(51)48-46-44-42-40-38-36-34-32-30-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-49H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Boehmeria Pannosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dipentodon Sinicus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hypericum Oblongifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pericome Caudata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Piper Lanceifolium (Plant) Rel Props:Source_db:cmaup_ingredients