2-Tetradecanoyl-sn-glycero-3-phosphocholine
PubChem CID: 24779490
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| Compound Synonyms | 2-tetradecanoyl-sn-glycero-3-phosphocholine, PC(0:0/14:0), SCHEMBL5052014, CHEBI:131738, LMGP01050073, 2-myristoyl-sn-glycero-3-phosphocholine, LPC(0:0/14:0), (2R)-3-hydroxy-2-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate, [(2R)-3-hydroxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5,8-Trioxa-4-phosphadocosan-1-aminium, 4-hydroxy-7-(hydroxymethyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (R)- |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-3-hydroxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Is Pains | False |
| Molecular Formula | C22H46NO7P |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGZPHNNYPPAPLA-OAQYLSRUSA-N |
| Fcsp3 | 0.9545454545454546 |
| Rotatable Bond Count | 22.0 |
| Compound Name | 2-Tetradecanoyl-sn-glycero-3-phosphocholine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 467.301 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 467.301 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 467.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.153520800000001 |
| Inchi | InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)30-21(19-24)20-29-31(26,27)28-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1 |
| Smiles | CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:cmaup_ingredients