Brain PI(4,5)P2

Base Information

• Chemical Name: Brain PI(4,5)P2
• CAS No.: 245126-95-8
• Molecular Formula: C47H85 O19 P3
• Molecular Weight: 1047.0877
• UNII: 5B7FUW76X2
• DSSTox Substance ID: DTXSID10420578
• Nikkaji Number: J1.353.283D
• Wikipedia: Phosphatidylinositol_4,5-bisphosphate
• NCI Thesaurus Code: C1192
• Mol file: 245126-95-8.mol

Synonyms:Brain PI(4,5)P2;245126-95-8;L-alpha-Phosphatidylinositol-4,5-bisphosphate;[(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;Phosphatidylinositol 4,5-bisphosphate;1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate;5B7FUW76X2;CHEBI:77276;DTXSID10420578;HY-114457;CS-0085953;1-stearoyl-2-arachidonoyl-sn-phosphatidylinositol 4,5-biphosphate;1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate;(2R)-1-[(hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;[(2R)-1-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl](5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;1-O-[1-O-Stearoyl-2-O-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-icosatetrenyl]-L-glycero-3-phospho]-D-myo-inositol 4,5-bisphosphoric acid;1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate;1-octadecanoyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate;5,8,11,14-eicosatetraenoic acid, (1R)-2-[[hydroxy[[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (5Z,8Z,11Z,14Z)-;D-Myo-inositol, 4,5-bis(dihydrogen phosphate) 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate);D-Myo-inositol, 4,5-bis(dihydrogen phosphate) 1-((2R)-2-(((5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate);D-myo-Inositol, 4,5-bis(dihydrogen phosphate) 1-[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraenyl]oxy]-3-[(1-oxooctadecyl)oxy]propyl hydrogen phosphate] (9CI)

Chemical Property of Brain PI(4,5)P2

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1034.8°C at 760 mmHg
• PKA: 1.43±0.50(Predicted)
• Flash Point: 579.6°C
• Density: 1.25g/cm³
• Storage Temp.: -70°C
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 44
• Exact Mass: 1046.48979147
• Heavy Atom Count: 69
• Complexity: 1630

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
• Uses: L-alpha-Phosphatidylinositol-4,5-bisphosphate is used as diagnostic biomarker and target for cancer therapy.