2,3-Dihydroxypropyl tetracosanoate
PubChem CID: 14542801
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 118605-21-3, 2,3-DIHYDROXYPROPYL TETRACOSANOATE, Tetracosanoic acid, 2,3-dihydroxypropyl ester, MG 24:0, 1-lignoceroylglycerol, 1-tetracosanoylglycerol, 1-acylglycerol 24:0, glyceryl-1-tetracosanoate, 1-O-(tetracosanoyl)glycerol, SCHEMBL4427359, 2,3-dihydroxypropyltetracosanoate, DTXSID30561457, CHEBI:142505, MAG 24:0 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxypropyl tetracosanoate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 10.7 |
| Is Pains | False |
| Molecular Formula | C27H54O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIWLCEXSSGNBJU-UHFFFAOYSA-N |
| Fcsp3 | 0.9629629629629628 |
| Rotatable Bond Count | 26.0 |
| Compound Name | 2,3-Dihydroxypropyl tetracosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.402 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 442.402 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 442.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.584695000000001 |
| Inchi | InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h26,28-29H,2-25H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients