Methyl arachidate
PubChem CID: 14259
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| Compound Synonyms | Methyl arachidate, 1120-28-1, Methyl icosanoate, Arachidic acid methyl ester, Eicosanoic acid, methyl ester, METHYL EICOSANOATE, Methyl arachisate, methyl arachate, MFCD00009014, arachic acid methyl ester, EINECS 214-304-8, 0ZH75194U0, Eicosanoic acid-methyl ester, AI3-36455, DTXSID2061515, N-EICOSANOIC ACID METHYL ESTER, Eicosanoic acid-methyl ester 10 microg/mL in Acetonitrile, MethylArachidate, C21H42O2, Methyl aracidate, Methyl icosanoate #, Kemester 2050, C20 FAME, Icosanoic Acid Methyl Ester, Eicosanoic Acid Methyl Ester, Methyl arachidate (Standard), SCHEMBL586921, DTXCID4033269, UNII-0ZH75194U0, CHEBI:143582, HY-W004291R, ARACHIDIC ACID, METHYL ESTER, Methyl arachidate, analytical standard, AKOS015904080, CS-W004291, FM63533, HY-W004291, AS-49345, Eicosanoic acid methyl ester (FAME MIX), SY048228, DB-041032, Methyl arachidate, >=99% (capillary GC), A0900, NS00020373, H10876, Q63398929, 4B020CF8-8307-42EE-AE7F-95190AB03DFA |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCC=O)OC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acid esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 238.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl icosanoate |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H42O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QGBRLVONZXHAKJ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9523809523809524 |
| Logs | -7.042 |
| Rotatable Bond Count | 19.0 |
| Logd | 4.46 |
| Synonyms | arachidic acid methyl ester, eicosanoic acid, methyl ester, methyl arachidate, methyl eicosanoate, methyl ester of eicosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | COC(C)=O |
| Compound Name | Methyl arachidate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.318 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.318 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.6 |
| 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 |
| Esol | -6.469703000000001 |
| Inchi | InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
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FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
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