2-[Hydroxy-[24-[hydroxy-[2-(trimethylammonio)ethoxy]phosphoryl]oxytetracosoxy]phosphoryl]oxyethyl-trimethyl-ammonium
PubChem CID: 10532757
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| Compound Synonyms | CHEMBL505006, 1,24-Bis[{[(trimethylammonium)ethoxy]phosphinyl}oxy]tetracosane, 2-[hydroxy-[24-[hydroxy-[2-(trimethylammonio)ethoxy]phosphoryl]oxytetracosoxy]phosphoryl]oxyethyl-trimethyl-ammonium, Ethanaminium, 2,2'-[1,24-tetracosanediylbis[oxy(hydroxyphosphinyl)oxy]]bis[N,N,N-trimethyl-, inner salt |
|---|---|
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 46.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 710.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 24-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxytetracosyl 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Xlogp | 8.9 |
| Molecular Formula | C34H74N2O8P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OJOPMWWLWGHMGV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.308 |
| Rotatable Bond Count | 35.0 |
| Logd | 1.127 |
| Compound Name | 2-[Hydroxy-[24-[hydroxy-[2-(trimethylammonio)ethoxy]phosphoryl]oxytetracosoxy]phosphoryl]oxyethyl-trimethyl-ammonium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 700.492 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 700.492 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 700.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.564604000000001 |
| Inchi | InChI=1S/C34H74N2O8P2/c1-35(2,3)29-33-43-45(37,38)41-31-27-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-28-32-42-46(39,40)44-34-30-36(4,5)6/h7-34H2,1-6H3 |
| Smiles | C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Crassicaulis (Plant) Rel Props:Source_db:cmaup_ingredients