2,3-Dipalmito-1-olein
PubChem CID: 5283475
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| Compound Synonyms | 1867-91-0, 2,3-Dipalmito-1-olein, rac 1-Oleoyl-2,3-dipalmitoyl Glycerol, 1,2-Dipalmitoyl-3-oleoylglycerol, 2,3-di(hexadecanoyloxy)propyl (Z)-octadec-9-enoate, Olein, 2,3-dipalmito-1-, Palmitin, 3-oleo-1,2-di-, RJG5P4898D, (+/-)-Glycerol 1,2-Dipalmitate 3-Oleate, 1-Oleoyl-2,3-dipalmitoyl-rac-glycerol, 9-Octadecenoic acid (9Z)-, 2,3-bis((1-oxohexadecyl)oxy)propyl ester, 9-Octadecenoic acid (Z)-, 2,3-bis((1-oxohexadecyl)oxy)propyl ester, TG 16:0_16:0_18:1, 1,2-dipalmitoyl-3-oleoyl-rac-glycerol, 1,2-Palmitin-3-Olein, 1,2-DH-Odg, UNII-RJG5P4898D, SCHEMBL896319, DTXSID601301267, HY-N7813, 28409-94-1, BP-29903, DA-49006, PD126701, CS-0138062, 1,2-Dihexadecyl-3-O-octadecenoyl-sn-glycerol, Q27288147, (Z)-3-(Octadec-9-enoyloxy)propane-1,2-diyl dipalmitate, 9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol dihexadecanoate |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Triacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCC))))))))))))))))))COC=O)CCCCCCC/C=CCCCCCCCC |
| Heavy Atom Count | 59.0 |
| Classyfire Class | Glycerolipids |
| Classyfire Subclass | Triradylcglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 916.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-di(hexadecanoyloxy)propyl (Z)-octadec-9-enoate |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 22.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C53H100O6 |
| Inchi Key | YHMDGPZOSGBQRH-QPLCGJKRSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 51.0 |
| Synonyms | oleo-dipalmitin |
| Esol Class | Insoluble |
| Functional Groups | C/C=CC, COC(C)=O |
| Compound Name | 2,3-Dipalmito-1-olein |
| Exact Mass | 832.752 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 832.752 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 833.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25- |
| Smiles | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Madhuca Longifolia (Plant) Rel Props:Reference:ISBN:9788171360536