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MitoTam iodide, hydriodide 5mg

CAT: 0628-A21486-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21486-5Size:5 mg
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CAS Number
1634624-74-0

Chemical Information

MitoTam iodide, hydriodide
CAS Number1634624-74-0
PubChem CID86304739
IUPAC Name[(Z)-12-[4-[2-(dimethylamino)ethoxy]phenyl]-11,12-diphenyldodec-11-enyl]-triphenylphosphanium;iodide;hydroiodide
Molecular FormulaC52H60I2NOP
Molecular Weight999.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count21
Heavy Atom Count57
Formal Charge0
Complexity984
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C5=CC=CC=C5)/C6=CC=CC=C6.I.[I-]
InChI
InChI=1S/C52H59NOP.2HI/c1-53(2)41-42-54-47-39-37-46(38-40-47)52(45-28-16-10-17-29-45)51(44-26-14-9-15-27-44)36-24-7-5-3-4-6-8-25-43-55(48-30-18-11-19-31-48,49-32-20-12-21-33-49)50-34-22-13-23-35-50;;/h9-23,26-35,37-40H,3-8,24-25,36,41-43H2,1-2H3;2*1H/q+1;;/p-1/b52-51-;;
InChIKey
LVHTWQRJWNCPET-DRFCFMONSA-M
Chemical Structure
2D Structure
2D structure of MitoTam iodide, hydriodide
CAS: 1634624-74-0
CID: 86304739
Formula: C52H60I2NOP
MW: 999.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight999.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count21
Exact Mass999.25020
Monoisotopic Mass999.25020
Topological Polar Surface Area12.5 Ų
Heavy Atom Count57
Formal Charge0
Complexity984
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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