2,3-Dihydroxypropyl tridecanoate
PubChem CID: 105563
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| Compound Synonyms | 2,3-dihydroxypropyl tridecanoate, 71958-74-2, Tridecanoic acid, 2,3-dihydroxypropyl ester, MONOTRIDECANOIN, SDA 17-001-00, MG 13:0, EINECS 266-945-8, starbld0003858, SCHEMBL2326840, DTXSID60867313, CLRCAFAXMVNJRH-UHFFFAOYSA-N, MAG 13:0, PD131564, EC 266-945-8 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCC=O)OCCCO))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Monoradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl tridecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H32O4 |
| Inchi Key | CLRCAFAXMVNJRH-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | (c14-c18)trialkyl glyceride, glycerides |
| Esol Class | Soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | 2,3-Dihydroxypropyl tridecanoate |
| Exact Mass | 288.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.42 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h15,17-18H,2-14H2,1H3 |
| Smiles | CCCCCCCCCCCCC(=O)OCC(CO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Glycerolipids |
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