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Tris dodecyl sulfate

CAT: 0024-sc-281179Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-281179Size:1 g
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CAS Number
50996-85-5

Chemical Information

Tris dodecyl sulfate
CAS Number50996-85-5
PubChem CID11703755
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;dodecyl hydrogen sulfate
Molecular FormulaC16H37NO7S
Molecular Weight387.5
Topological Polar Surface Area159
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count25
Formal Charge0
Complexity298
SMILES
CCCCCCCCCCCCOS(=O)(=O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C12H26O4S.C4H11NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;5-4(1-6,2-7)3-8/h2-12H2,1H3,(H,13,14,15);6-8H,1-3,5H2
InChIKey
TYTUELFFKLZOTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tris dodecyl sulfate
CAS: 50996-85-5
CID: 11703755
Formula: C16H37NO7S
MW: 387.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight387.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass387.22907369
Monoisotopic Mass387.22907369
Topological Polar Surface Area159 Ų
Heavy Atom Count25
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes