1,3-Dihydroxypropan-2-yl formate
PubChem CID: 17756737
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| Compound Synonyms | Glyceryl 2-formate, 1,3-dihydroxypropan-2-yl formate, O2Q80E9PLL, 1,2,3-Propanetriol, 2-formate, UNII-O2Q80E9PLL, 81584-87-4, Monoglyceride, 2-acylglycerol, 2-Monoacylglycerol, 2-MONOGLYCERIDE, GTPL8800, SCHEMBL1109928, LDVVTQMJQSCDMK-UHFFFAOYSA-N, DTXSID301344092, PD050035, Q58216189 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | OCCOC=O)))CO |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Glycerolipids |
| Description | Monoacyl glycerol is a member of the class of compounds known as 2-monoacylglycerols. 2-monoacylglycerols are monoacylglycerols containing a glycerol acylated at the 2-position. Monoacyl glycerol is soluble (in water) and a very weakly acidic compound (based on its pKa). Monoacyl glycerol can be found in fig, which makes monoacyl glycerol a potential biomarker for the consumption of this food product. Monoglycerides (also: acylglycerols or monoacylglycerols) are a class of glycerides which are composed of a molecule of glycerol linked to a fatty acid via an ester bond. As glycerol contains both primary and secondary alcohol groups two different types of monoglycerides may be formed, 1-monoacylglycerols where the fatty acid is attached to a primary alcohol, or a 2-monoacylglycerols where the fatty acid is attached to the secondary alcohol . |
| Classyfire Subclass | Monoradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dihydroxypropan-2-yl formate |
| Class | Glycerolipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | -1.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoradylglycerols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O4 |
| Inchi Key | LDVVTQMJQSCDMK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-alkyl-2-acyl-sn-glycerol, 1-alkyl-2-acyl-sn-glycerols, 1-Alkyl-2-acylglycerol, 1-O-alkyl-2-O-acyl-sn-glycerol, 2-Acyl-1-alkyl-sn-glycerol, 2-acylglycerol, 2-Glyceride, 2-Monoacylglycerol, 2-monoglyceride, 2-monoglycerides, monoglyceride |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC=O |
| Compound Name | 1,3-Dihydroxypropan-2-yl formate |
| Kingdom | Organic compounds |
| Exact Mass | 120.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 120.1 |
| 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/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2 |
| Smiles | C(C(CO)OC=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 2-monoacylglycerols |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Impatiens Balsamina (Plant) Rel Props:Reference:ISBN:9788172362300