Glyceryl 1,3-distearate
PubChem CID: 101269
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| Compound Synonyms | Glyceryl 1,3-distearate, 1,3-Distearin, 504-40-5, 1,3-Distearoylglycerol, 1,3-Dioctadecanoylglycerol, 1,3-Distearoylglycerin, Glycerin 1,3-distearate, 1,3-Di-O-stearoylglycerol, Stearic acid diglycerin ester, 1,3-Distearin glyceride, Stearin, 1,3-di-, Glycerol 1,3-Distearate, (2-hydroxy-3-octadecanoyloxypropyl) octadecanoate, Octadecanoic acid, 2-hydroxy-1,3-propanediyl ester, UNII-733QK35BCI, NSC 404229, EINECS 207-992-6, NSC-404229, 733QK35BCI, DTXSID60892302, OCTADECANOIC ACID, 1,1'-(2-HYDROXY-1,3-PROPANEDIYL) ESTER, 2-Hydroxypropane-1,3-diyl distearate, Stearin,3-di-, 1,3-distearoylglycerides, 1,3-Distearate-Glycerol, Glyceryl distearate [NF], SCHEMBL118948, UNII-73071MW2KM, 1,3-bisstearoyloxy-2-propanol, CHEMBL3989749, DTXCID2030221, Glyceryl 1 pound not3-Distearate, 73071MW2KM, 1-Stearoyl-3-stearoyl-sn-glycerol, EINECS 215-359-0, NSC404229, Octadecanoic acid,3-propanediyl ester, Diacylglycerol(18:0/0:0/18:0), 1-Octadecanoyl-3-octadecanoyl-sn-glycerol, BP-29844, AI3-03511, Glyceryl 1,3-distearate, >=99% (TLC), 2-Hydroxy-3-(stearoyloxy)propyl stearate #, NS00013699, DAG(18:0/0:0/18:0), DG(18:0/0:0/18:0), Q27266128, 207-992-6 |
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| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Triacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCCCC=O)OCCCOC=O)CCCCCCCCCCCCCCCCC))))))))))))))))))))O |
| Heavy Atom Count | 44.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Diradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-hydroxy-3-octadecanoyloxypropyl) octadecanoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C39H76O5 |
| Inchi Key | IZHVBANLECCAGF-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 38.0 |
| Synonyms | 1,3-distearin, stearic acid glyceride |
| Esol Class | Insoluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Glyceryl 1,3-distearate |
| Exact Mass | 624.569 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 624.569 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 625.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Indica (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Reference:ISBN:9780387706375 - 3. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Reference:ISBN:9780387706375