Myristyl palmitate
PubChem CID: 78294
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Myristyl palmitate, 4536-26-9, Tetradecyl hexadecanoate, Tetradecyl palmitate, Hexadecanoic acid, tetradecyl ester, Palmitic acid, tetradecyl ester, PALMITIC ACID MYRISTYL ESTER, tetradecanyl hexadecanoate, UNII-05918JMY6W, 05918JMY6W, EINECS 224-884-4, DTXSID6063511, CHEBI:84064, WE(14:0/16:0), Myristyl palmitic acid, Tetradecyl palmitic acid, Palmitate, tetradecyl ester, Tetradecanyl hexadecanoic acid, SCHEMBL146506, Hexadecanoate, tetradecyl ester, DTXCID6040406, LMFA07010002, AKOS030254795, HY-W704676, DB-051297, NS00021162, Q27157444 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCC |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradecyl hexadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H60O2 |
| Inchi Key | UULYVBBLIYLRCU-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | myristyl palmitate, tetradecyl palmitate |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Myristyl palmitate |
| Exact Mass | 452.459 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 452.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H60O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30(31)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1470943 - 2. Outgoing r'ship
FOUND_INto/from Phytolacca Acinosa (Plant) Rel Props:Reference:ISBN:9788172362461