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16:0 EPC chloride

CAT: 0931-T74315-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T74315-01Size:10 mg
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CAS Number
328250-18-6
Target
Liposome, Others
Related Pathways
Others, Metabolism
Bioactivity
16:0 EPC chloride, a saturated cationic lipid and a P-O-ethyl derivative, functions as a DNA and RNA transfecting agent. It is also utilized as a co-adjuvant in vaccine preparation and to enhance drug delivery [1].
Smiles
[Cl-].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Molecular Formula
C42H85ClNO8P
Molecular Weight
798.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

16:0 Epc chloride
CAS Number328250-18-6
PubChem CID131877842
IUPAC Name2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-ethoxyphosphoryl]oxyethyl-trimethylazanium chloride
Molecular FormulaC42H85ClNO8P
Molecular Weight798.6
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count42
Heavy Atom Count53
Formal Charge0
Complexity865
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[Cl-]
InChI
InChI=1S/C42H85NO8P.ClH/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)47-38-40(39-50-52(46,48-9-3)49-37-36-43(4,5)6)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-8-2;/h40H,7-39H2,1-6H3;1H/q+1;/p-1/t40-,52?;/m1./s1
InChIKey
XXTKXMLARLHZSM-WGVGMMHHSA-M
Chemical Structure
2D Structure
2D structure of 16:0 Epc chloride
CAS: 328250-18-6
CID: 131877842
Formula: C42H85ClNO8P
MW: 798.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight798.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count42
Exact Mass797.5701334
Monoisotopic Mass797.5701334
Topological Polar Surface Area97.4 Ų
Heavy Atom Count53
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes