(32S)-32-hydroxyhexatriacontan-4-one
PubChem CID: 163188296
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (32S)-32-hydroxyhexatriacontan-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 15.4 |
| Molecular Formula | C36H72O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NZLOZMNHKAHIRJ-BHVANESWSA-N |
| Fcsp3 | 0.9722222222222222 |
| Logs | -7.345 |
| Rotatable Bond Count | 33.0 |
| Logd | 5.5 |
| Compound Name | (32S)-32-hydroxyhexatriacontan-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 536.553 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 536.553 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 537.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.699514000000004 |
| Inchi | InChI=1S/C36H72O2/c1-3-5-32-36(38)34-30-28-26-24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25-27-29-33-35(37)31-4-2/h36,38H,3-34H2,1-2H3/t36-/m0/s1 |
| Smiles | CCCC[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Source_db:cmaup_ingredients