Eicosanedioic Acid
PubChem CID: 75502
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| Compound Synonyms | Eicosanedioic acid, Icosanedioic acid, 2424-92-2, 1,20-eicosanedioic acid, 1,18-octadecanedicarboxylic acid, UNII-SOD235TGNZ, SOD235TGNZ, Eicosan-1,20-dioic acid, octadecamethylenedicarboxylic acid, Octadecane-1,18-dicarboxylic acid, MFCD00059627, DTXSID7062407, CHEBI:73728, SL 20, SL-20, eicosanedioate, icosanedioate, Icosanedioic acid #, 1,20-Icosanedioate, Eicosa-1,20-dioate, 1,20-icosanedioic acid, eicosa-1,20-dioic acid, 1,18-Octadecanedicarboxylate, SCHEMBL213967, Octadecane-1,18-dicarboxylate, DTXCID8037041, LMFA01170035, AKOS024462905, HY-W034595, SS-5128, AC-32521, SY048222, eicosadioic acid, eicosa-1,20-dioic acid, DB-125813, CS-0085745, E0320, W18722, Q27144072, 679-934-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dicarboxylic acids |
| Deep Smiles | OC=O)CCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosanedioic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H38O4 |
| Inchi Key | JJOJFIHJIRWASH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 1,18-Octadecanedicarboxylic acid, 1,20-Icosanedioic acid, Eicosa-1,20-dioic acid, Octadecane-1,18-dicarboxylic acid, 1,18-Octadecanedicarboxylate, 1,20-Icosanedioate, Eicosa-1,20-dioate, Octadecane-1,18-dicarboxylate, Eicosanedioate, Icosanedioate, Eicosanedioic acid, eicosanedioic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O |
| Compound Name | Eicosanedioic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 342.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.277 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 342.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24) |
| Smiles | C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Pseudotsuga Menziesii (Plant) Rel Props:Reference:ISBN:9788172362461