Tanikolide
PubChem CID: 5276592
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| Compound Synonyms | Tanikolide, (6R)-6-(hydroxymethyl)-6-undecyloxan-2-one, 248278-40-2, (+)-Tanikolide, CHEMBL479498, SCHEMBL9902905, CHEBI:215094, DTXSID401037008, (6R)-6-(hydroxymethyl)-6-undecyl-tetrahydropyran-2-one, 2H-Pyran-2-one, tetrahydro-6-(hydroxymethyl)-6-undecyl-, (6R)- |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6R)-6-(hydroxymethyl)-6-undecyloxan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.3 |
| Molecular Formula | C17H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLAYXWYCDWDTBF-QGZVFWFLSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -4.699 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.622 |
| Compound Name | Tanikolide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.229128 |
| Inchi | InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3/t17-/m1/s1 |
| Smiles | CCCCCCCCCCC[C@@]1(CCCC(=O)O1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Potentilla Kleiniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all