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Pyrrolomycin E

CAT: 0804-HY-N14532Size: 1 EachDry Ice: NoHazardous: No
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Description
Pyrrolomycin E is a pyrrole antibiotic. Pyrrolomycin E has anti-Gram-positive bacteria, anti-Gram-negative bacteria and anti-individual fungi activity[1].
CAS Number
87376-16-7
UNSPSC
12352005
Target
Antibiotic; Bacterial; Fungal
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
OC1=C(C2=C([N+]([O-])=O)C=C(Cl)N2)C=C(Cl)C=C1Cl
Molecular Formula
C10H5Cl3N2O3
Molecular Weight
307.52
References & Citations
[1]M Koyama, et al. Structural studies on pyrrolomycins C, D and E. J Antibiot (Tokyo) . 1983 Nov;36 (11) :1483-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Pyrrolomycin E

Pyrrolomycin E has been reported in Streptomyces vitaminophilus with data available.

CAS Number87376-16-7
PubChem CID5487782
IUPAC Name2,4-dichloro-6-(5-chloro-3-nitro-1H-pyrrol-2-yl)phenol
Molecular FormulaC10H5Cl3N2O3
Molecular Weight307.5
XLogP4.1
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity328
SMILES
C1=C(C=C(C(=C1C2=C(C=C(N2)Cl)[N+](=O)[O-])O)Cl)Cl
InChI
InChI=1S/C10H5Cl3N2O3/c11-4-1-5(10(16)6(12)2-4)9-7(15(17)18)3-8(13)14-9/h1-3,14,16H
InChIKey
SGEOBHBCFXDBHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolomycin E
CAS: 87376-16-7
CID: 5487782
Formula: C10H5Cl3N2O3
MW: 307.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass305.936575
Monoisotopic Mass305.936575
Topological Polar Surface Area81.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity328
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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