(13R,17S)-13,17-dimethylnonatriacontane
PubChem CID: 15042971
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (13R,17S)-13,17-dimethylnonatriacontane |
| Prediction Hob | 0.0 |
| Xlogp | 21.8 |
| Molecular Formula | C41H84 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NCDMPBAUNOMRCH-ZFESHMOZSA-N |
| Fcsp3 | 1.0 |
| Logs | -8.75 |
| Rotatable Bond Count | 36.0 |
| Logd | 7.118 |
| Compound Name | (13R,17S)-13,17-dimethylnonatriacontane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 576.657 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 576.657 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 577.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -14.801362600000001 |
| Inchi | InChI=1S/C41H84/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-37-41(4)39-35-38-40(3)36-33-31-29-27-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3/t40-,41+/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Laurina (Plant) Rel Props:Source_db:cmaup_ingredients