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Enterocin

CAT: 0543-E041-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0543-E041-1MGSize:1 mg
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CAS Number
59678-46-5
Applications
Microbiology.
Purity
>95% by HPLC
Molecular Formula
C22H20O10
Molecular Weight
444.4
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Enterocin

Enterocin is an aromatic ketone.

CAS Number59678-46-5
PubChem CID23654446
IUPAC Name(1S,2S,3S,6R,8R,9S,10R)-2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one
Molecular FormulaC22H20O10
Molecular Weight444.4
XLogP-0.9
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity948
SMILES
COC1=CC(=O)OC(=C1)[C@@H]2[C@@]3(C[C@@H]4[C@H]([C@]2([C@@H]([C@]3(C(=O)O4)O)C(=O)C5=CC=CC=C5)O)O)O
InChI
InChI=1S/C22H20O10/c1-30-11-7-12(31-14(23)8-11)16-20(27)9-13-18(25)21(16,28)17(22(20,29)19(26)32-13)15(24)10-5-3-2-4-6-10/h2-8,13,16-18,25,27-29H,9H2,1H3/t13-,16-,17+,18-,20-,21+,22-/m1/s1
InChIKey
CTBBEXWJRAPJIZ-VHPBLNRZSA-N
Chemical Structure
2D Structure
2D structure of Enterocin
CAS: 59678-46-5
CID: 23654446
Formula: C22H20O10
MW: 444.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.4
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass444.10564683
Monoisotopic Mass444.10564683
Topological Polar Surface Area160 Ų
Heavy Atom Count32
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS651358-01Enterocin
T80192-01Enterocin K1
MBS651287-01Enterocin (Vulgamycin)
T80193-01Enterocin Hybrid 1
MBS1142489-01Recombinant Enterococcus faecium Enterocin-HF
MBS1252772-01Recombinant Enterococcus faecium Bacteriocin enterocin-M
MBS1036163-01Recombinant Enterococcus sp. Enterocin E-760
MBS1080022-01Recombinant Enterococcus faecium Bacteriocin enterocin-P (entP)
VAng-Cr7605-50gEcoliRecombinant Streptococcus Faecium Bacteriocin enterocin-M Protein (aa 1-38)

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