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12:0 Epc (Cl salt)

CAT: 0926-ZTA94522Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-ZTA94522Size:25 mg
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CAS Number
474945-22-7
Smiles
O=P (OCC[N+] (C) (C) C) (OC[C@] ([H]) (OC (CCCCCCCCCCC) =O) COC (CCCCCCCCCCC) =O) OCC.[Cl-]
Molecular Formula
C34H69NO8PCl
Molecular Weight
686.34 g/mol
Controlled
No

Chemical Information

12:0 EPC (Cl Salt)
CAS Number474945-22-7
PubChem CID131879606
IUPAC Name2-[[(2R)-2,3-di(dodecanoyloxy)propoxy]-ethoxyphosphoryl]oxyethyl-trimethylazanium chloride
Molecular FormulaC34H69ClNO8P
Molecular Weight686.3
Topological Polar Surface Area97.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Heavy Atom Count45
Formal Charge0
Complexity743
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC.[Cl-]
InChI
InChI=1S/C34H69NO8P.ClH/c1-7-10-12-14-16-18-20-22-24-26-33(36)39-30-32(31-42-44(38,40-9-3)41-29-28-35(4,5)6)43-34(37)27-25-23-21-19-17-15-13-11-8-2;/h32H,7-31H2,1-6H3;1H/q+1;/p-1/t32-,44?;/m1./s1
InChIKey
QWVQEMZYQQUQCH-XFSYIJCRSA-M
Chemical Structure
2D Structure
2D structure of 12:0 EPC (Cl Salt)
CAS: 474945-22-7
CID: 131879606
Formula: C34H69ClNO8P
MW: 686.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Exact Mass685.4449329
Monoisotopic Mass685.4449329
Topological Polar Surface Area97.4 Ų
Heavy Atom Count45
Formal Charge0
Complexity743
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

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Alternative Products

CatalogName
BIPG217912:0 EPC (Cl Salt)
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