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Pyrrolomycin D

CAT: 0013-GTR19266095-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266095-02Size:50 mg
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Description
Pyrrolomycins D is an antibiotic of the pyrrolomycin class found in actinobacteria.
CAS Number
81910-07-8
Field of Research
Infectious Disease & Virology
Smiles
O=C (C=1C=C (Cl) C=C (Cl) C1O) C=2NC (Cl) =C (Cl) C2Cl
Molecular Formula
C11H4Cl5NO2
Molecular Weight
359.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrrolomycin D

Pyrrolomycin D is an aromatic ketone.

CAS Number81910-07-8
PubChem CID133780
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-(3,4,5-trichloro-1H-pyrrol-2-yl)methanone
Molecular FormulaC11H4Cl5NO2
Molecular Weight359.4
XLogP6.1
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity358
SMILES
C1=C(C=C(C(=C1C(=O)C2=C(C(=C(N2)Cl)Cl)Cl)O)Cl)Cl
InChI
InChI=1S/C11H4Cl5NO2/c12-3-1-4(9(18)5(13)2-3)10(19)8-6(14)7(15)11(16)17-8/h1-2,17-18H
InChIKey
IJODRMYZNYTFTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrrolomycin D
CAS: 81910-07-8
CID: 133780
Formula: C11H4Cl5NO2
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass358.865517
Monoisotopic Mass356.868467
Topological Polar Surface Area53.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
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