Glyceryl behenate
PubChem CID: 5362585
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| Compound Synonyms | Glyceryl behenate, 30233-64-8, Behenin, 2,3-Dihydroxypropyl docosanoate, Glyceryl monobehenate, 77538-19-3, 6916-74-1, Docosanoic acid, 2,3-dihydroxypropyl ester, 1,2,3-Propanetriol docosanoate, Docosanoic acid, monoester with 1,2,3-propanetriol, Docosanoic acid, ester with 1,2,3-propanetriol, A626UU0W2A, Glyceryl tribehenate, Glyceryl tridocosanoate, Lipovol GTB, Behenic monoglyceride, glycerine monobehenate, 1-O-Docosanoylglycerol, UNII-A626UU0W2A, glycerol behenate, 1-Monodocosanoin, MG 22:0, 1-behenoylglycerol, 1-docosanoylglycerol, EINECS 250-097-0, EINECS 278-717-5, 1-Monobehenoylglycerol, Docosanoic acid, monoester with glycerol, 1-acylglycerol 22:0, Docosanoic acid,2,3-dihydroxypropyl ester, EC 278-717-5, SCHEMBL3805, glycerol-behenic acid monoester, CHEBI:142497, DTXSID701015809, MAG 22:0, DA-55622, FG145186, DB-217988, DB-254894, docosanoic acid 2',3'-dihydroxypropyl ester, NS00013665, Q27273676 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Monoacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC=O)OCCCO))O |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Glycerolipids |
| Description | It is used as a food additive . |
| Classyfire Subclass | Monoradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl docosanoate |
| Class | Glycerolipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H50O4 |
| Inchi Key | OKMWKBLSFKFYGZ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 24.0 |
| Synonyms | 1,2,3-Propanetriol docosanoate, Behenin, Docosanoic acid, ester with 1,2,3-propanetriol, 1-Acylglycerol 22:0, 1-Docosanoylglycerol, 1-O-Docosanoylglycerol, Docosanoic acid 2',3'-dihydroxypropyl ester, Glycerol behenate, Glycerol-behenic acid monoester, Docosanoate 2',3'-dihydroxypropyl ester, Glycerol behenic acid, Glycerol-behenate monoester, Glyceryl behenic acid, 2,3-Dihydroxypropyl docosanoic acid, ATO 888, Compritol 888, Compritol ato 888, Glyceryl behenate, behenin, glyceryl behenate |
| Esol Class | Poorly soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Glyceryl behenate |
| Kingdom | Organic compounds |
| Exact Mass | 414.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 414.371 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 414.7 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 1-monoacylglycerols |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Centaurea Behen (Plant) Rel Props:Reference:ISBN:9788172361266