CID 145710345

Base Information

• Chemical Name: CID 145710345
• CAS No.: 799268-51-2
• Molecular Formula: C40H76NNa2O10P
• Molecular Weight: 808.0
• Mol file: 799268-51-2.mol

Synonyms:799268-51-2;disodium;(2S)-2-amino-3-[[(2R)-2,3-di(heptadecanoyloxy)propoxy]-oxidophosphoryl]oxypropanoate;4,6,10-Trioxa-5-phosphaheptacosanoic acid, 2-amino-5-hydroxy-11-oxo-8-[(1-oxoheptadecyl)oxy]-, 5-oxide, sodium salt, (2S,8R)-;4,6,10-Trioxa-5-phosphaheptacosanoicacid,2-amino-5-hydroxy-11-oxo-8-[(1-oxoheptadecyl)oxy]-,5-oxide,sodiumsalt,(2S,8R)-

Chemical Property of CID 145710345

Chemical Property:

• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 41
• Exact Mass: 807.50022318
• Heavy Atom Count: 54
• Complexity: 892

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])N)OC(=O)CCCCCCCCCCCCCCCC.[Na+].[Na+]
• Isomeric SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])N)OC(=O)CCCCCCCCCCCCCCCC.[Na+].[Na+]
• Uses: 17:0 PS has been used as an internal standard for BXD liver and plasma sample analysis. It may be used as a standard to estimate the cellular lipidome of Saccharomyces cerevisiae by liquid chromatography coupled with tandem mass spectrometry.