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Home > Encyclopedia > Coenzyme A, S-(4-chlorobenzoate)

Coenzyme A, S-(4-chlorobenzoate)

Coenzyme A, S-(4-chlorobenzoate) structure

Coenzyme A, S-(4-chlorobenzoate) 

structure
  • CAS No:

    117380-98-0

  • Formula:

    C28H39ClN7O17P3S

  • Chemical Name:

    Coenzyme A, S-(4-chlorobenzoate)

  • Synonyms:

    Coenzyme A,S-(4-chlorobenzoate);(4-Chlorobenzoyl)-CoA;1038755-69-9

  • Categories:

    Biochemical Engineering  >  Saccharides

Description

ChEBI: A chlorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-chlorobenzoic acid


4-chlorobenzoyl-CoA is a chlorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-chlorobenzoic acid It is a member of monochlorobenzenes and a chlorobenzoyl-CoA. It derives from a benzoyl-CoA and a 4-chlorobenzoic acid. It is a conjugate acid of a 4-chlorobenzoyl-CoA(4-).

Coenzyme A, S-(4-chlorobenzoate) Basic Attributes

906.083

906.09

Characteristics

389

-3.4

1.86±0.1 g/cm3(Predicted)

1.722

Drug Information

4-CBA-CoA

Computed Properties

Molecular Weight:906.1
XLogP3:-3.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:21
Exact Mass:905.1024527
Monoisotopic Mass:905.1024527
Topological Polar Surface Area:389
Heavy Atom Count:57
Complexity:1550
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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