(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
PubChem CID: 163085638
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one |
| Prediction Hob | 0.0 |
| Xlogp | 16.2 |
| Molecular Formula | C38H76O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCQYWJIKNVININ-FZNHDDJXSA-N |
| Fcsp3 | 0.9736842105263158 |
| Logs | -5.388 |
| Rotatable Bond Count | 34.0 |
| Logd | 4.793 |
| Compound Name | (8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 564.585 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 564.585 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 565.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -11.311448800000004 |
| Inchi | InChI=1S/C38H76O2/c1-4-6-32-38(40)35-34-36(3)31-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-33-37(39)30-5-2/h36-37,39H,4-35H2,1-3H3/t36-,37-/m1/s1 |
| Smiles | CCCCC(=O)CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](CCC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Source_db:cmaup_ingredients