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(2S) -OMPT (triethylamine)

CAT: 0931-TYD-01447Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-01447Size:1 mg
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CAS Number
1217471-69-6
Bioactivity
(2S) -OMPT (triethylamine), dissolved in a 1:1 mixture of ethanol and chloroform at a purity of 98%, is a chiral epoxide derivative commonly used as a ligand in asymmetric catalysis. It is particularly valuable in the enantioselective synthesis of bioactive molecules such as amino acids and pharmaceuticals. The unique chemical properties of (2S) -OMPT triethylamine allow it to selectively bind specific metal complexes and activate them to preferentially form desired enantiomers.
Smiles
CCN(CC)CC.CCCCCCCC/C=C\CCCCCCCC(OC[C@H](OC)COP(O)(S)=O)=O.CCN(CC)CC
Molecular Formula
C34H73N2O6PS
Molecular Weight
668.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-OMPT Triethylammonium salt
CAS Number1217471-69-6
PubChem CID16078993
IUPAC Namebis(N,N-diethylethanamine);[(2S)-3-dihydroxyphosphinothioyloxy-2-methoxypropyl] (Z)-octadec-9-enoate
Molecular FormulaC34H73N2O6PS
Molecular Weight669.0
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Heavy Atom Count44
Formal Charge0
Complexity506
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=S)(O)O)OC.CCN(CC)CC.CCN(CC)CC
InChI
InChI=1S/C22H43O6PS.2C6H15N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30;2*1-4-7(5-2)6-3/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30);2*4-6H2,1-3H3/b11-10-;;/t21-;;/m0../s1
InChIKey
SHELRVLEXVWOAY-JNYXYQEXSA-N
Chemical Structure
2D Structure
2D structure of (S)-OMPT Triethylammonium salt
CAS: 1217471-69-6
CID: 16078993
Formula: C34H73N2O6PS
MW: 669.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Exact Mass668.49269622
Monoisotopic Mass668.49269622
Topological Polar Surface Area124 Ų
Heavy Atom Count44
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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