[(4R)-4-hydroxyundecyl] docosanoate
PubChem CID: 162951925
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4R)-4-hydroxyundecyl] docosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 14.2 |
| Molecular Formula | C33H66O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QGCLTZPRWFBWML-JGCGQSQUSA-N |
| Fcsp3 | 0.9696969696969696 |
| Logs | -7.734 |
| Rotatable Bond Count | 31.0 |
| Logd | 4.926 |
| Compound Name | [(4R)-4-hydroxyundecyl] docosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.501 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.501 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 510.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.901205600000004 |
| Inchi | InChI=1S/C33H66O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-30-33(35)36-31-27-29-32(34)28-25-23-8-6-4-2/h32,34H,3-31H2,1-2H3/t32-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC[C@@H](CCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Mupinensis (Plant) Rel Props:Source_db:cmaup_ingredients