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14:1 Epc (tf salt)

CAT: 0926-WZB30444-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB30444-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246304-44-8
Smiles
[O-]S (C (F) (F) F) (=O) =O.O=P (OCC[N+] (C) (C) C) (OC[C@] ([H]) (OC (CCCCCCC/C=C\CCCC) =O) COC (CCCCCCC/C=C\CCCC) =O) OCC
Molecular Formula
C39H73F3NO11PS
Molecular Weight
852.03 g/mol
Controlled
No

Chemical Information

14:1 EPC (Tf Salt)
CAS Number1246304-44-8
PubChem CID131871065
IUPAC Name2-[[(2R)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propoxy]-ethoxyphosphoryl]oxyethyl-trimethylazanium;trifluoromethanesulfonate
Molecular FormulaC39H73F3NO11PS
Molecular Weight852.0
Topological Polar Surface Area163
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count36
Heavy Atom Count56
Formal Charge0
Complexity1030
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCC)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C38H73NO8P.CHF3O3S/c1-7-10-12-14-16-18-20-22-24-26-28-30-37(40)43-34-36(35-46-48(42,44-9-3)45-33-32-39(4,5)6)47-38(41)31-29-27-25-23-21-19-17-15-13-11-8-2;2-1(3,4)8(5,6)7/h14-17,36H,7-13,18-35H2,1-6H3;(H,5,6,7)/q+1;/p-1/b16-14-,17-15-;/t36-,48?;/m1./s1
InChIKey
VWLPRDUQENJQBN-VEEYQLTESA-M
Chemical Structure
2D Structure
2D structure of 14:1 EPC (Tf Salt)
CAS: 1246304-44-8
CID: 131871065
Formula: C39H73F3NO11PS
MW: 852.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count36
Exact Mass851.45940480
Monoisotopic Mass851.45940480
Topological Polar Surface Area163 Ų
Heavy Atom Count56
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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