(5S)-5-hydroxytritriacontane-12,14-dione
PubChem CID: 162978725
Connections displayed (default: 10).
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| Topological Polar Surface Area | 54.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-hydroxytritriacontane-12,14-dione |
| Prediction Hob | 0.0 |
| Xlogp | 12.6 |
| Molecular Formula | C33H64O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOPOIZPBRYFIFH-HKBQPEDESA-N |
| Fcsp3 | 0.9393939393939394 |
| Logs | -5.583 |
| Rotatable Bond Count | 30.0 |
| Logd | 5.445 |
| Compound Name | (5S)-5-hydroxytritriacontane-12,14-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.486 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.486 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 508.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.927806400000003 |
| Inchi | InChI=1S/C33H64O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-32(35)30-33(36)29-25-22-21-23-27-31(34)26-6-4-2/h31,34H,3-30H2,1-2H3/t31-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC[C@H](CCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canella Winterana (Plant) Rel Props:Source_db:cmaup_ingredients