Triacontanoate
PubChem CID: 5461027
Connections displayed (default: 10).
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| Compound Synonyms | melissate, triacontanoate, triacontoate, Triacontanoat, n-triacontanoate, CHEBI:31004, CH3-[CH2]28-COO(-), CH3-(CH2)28-COO(-), AKOS015843201, Q27114058 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontanoate |
| Prediction Hob | 0.0 |
| Xlogp | 14.6 |
| Molecular Formula | C30H59O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | VHOCUJPBKOZGJD-UHFFFAOYSA-M |
| Fcsp3 | 0.9666666666666668 |
| Logs | -7.198 |
| Rotatable Bond Count | 27.0 |
| Logd | 4.189 |
| Compound Name | Triacontanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 451.452 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 451.452 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 451.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.961360000000003 |
| Inchi | InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)/p-1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Equisetum Arvense (Plant) Rel Props:Source_db:cmaup_ingredients