23-[Oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxytricosyl 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID: 162660177
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| Compound Synonyms | CHEMBL4762999 |
|---|---|
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 45.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 696.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 23-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxytricosyl 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Molecular Formula | C33H72N2O8P2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLXJCDMJLBCNCU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.299 |
| Rotatable Bond Count | 34.0 |
| Logd | 0.864 |
| Compound Name | 23-[Oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxytricosyl 2-(trimethylazaniumyl)ethyl phosphate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 686.476 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 686.476 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 686.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.197136600000004 |
| Inchi | InChI=1S/C33H72N2O8P2/c1-34(2,3)28-32-42-44(36,37)40-30-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-31-41-45(38,39)43-33-29-35(4,5)6/h7-33H2,1-6H3 |
| Smiles | C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCCOP(=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