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Iso-OMPA

CAT: 0931-T86746-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T86746-01Size:1 mg
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CAS Number
513-00-8
Target
Cholinesterase (ChE)
Related Pathways
Neuroscience
Purity
0.9866
Bioactivity
Iso-OMPA (Tetraisopropyl pyrophosphoramide) is a selective, covalent, and irreversible butylcholinesterase (BuChE) inhibitor for studying BuChE-related diseases.
Smiles
O=P(OP(=O)(NC(C)C)NC(C)C)(NC(C)C)NC(C)C
Molecular Formula
C12H32N4O3P2
Molecular Weight
342.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

iso-OMPA

Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.

CAS Number513-00-8
PubChem CID5420
IUPAC NameN-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
Molecular FormulaC12H32N4O3P2
Molecular Weight342.36
XLogP1
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity336
SMILES
CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
InChI
InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
InChIKey
IOIMDJXKIMCMIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of iso-OMPA
CAS: 513-00-8
CID: 5420
Formula: C12H32N4O3P2
MW: 342.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.36
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass342.19496489
Monoisotopic Mass342.19496489
Topological Polar Surface Area91.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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