(2R)-2-hydroxyheptadecanoic acid
PubChem CID: 124511461
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-hydroxyheptadecanoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C17H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUZABABLVHWUGR-MRXNPFEDSA-N |
| Fcsp3 | 0.9411764705882352 |
| Logs | -3.09 |
| Rotatable Bond Count | 15.0 |
| Logd | 2.624 |
| Compound Name | (2R)-2-hydroxyheptadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 286.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.891127199999998 |
| Inchi | InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20/h16,18H,2-15H2,1H3,(H,19,20)/t16-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCC[C@H](C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bacopa Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients