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4-Hydroxyphlebiarubrone

CAT: 0013-GTR19255327-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255327-02Size:50 mg
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Description
4-Hydroxyphlebiarubrone is a quinone antibiotic. It exhibits weaker resistance against Gram-negative bacteria and possesses cytotoxic properties.
CAS Number
93908-33-9
Field of Research
Infectious Disease & Virology
Smiles
O=C1C (=O) C (C=2C=CC (O) =CC2) =C3OCOC3=C1C=4C=CC=CC4
Molecular Formula
C19H12O5
Molecular Weight
320.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-Hydroxyphenyl)-7-phenyl-1,3-benzodioxole-5,6-dione
CAS Number93908-33-9
PubChem CID86108081
IUPAC Name4-(4-hydroxyphenyl)-7-phenyl-1,3-benzodioxole-5,6-dione
Molecular FormulaC19H12O5
Molecular Weight320.3
XLogP2.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity616
SMILES
C1OC2=C(C(=O)C(=O)C(=C2O1)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C19H12O5/c20-13-8-6-12(7-9-13)15-17(22)16(21)14(11-4-2-1-3-5-11)18-19(15)24-10-23-18/h1-9,20H,10H2
InChIKey
FRYSCMBOMJBOPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Hydroxyphenyl)-7-phenyl-1,3-benzodioxole-5,6-dione
CAS: 93908-33-9
CID: 86108081
Formula: C19H12O5
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass320.06847348
Monoisotopic Mass320.06847348
Topological Polar Surface Area72.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity616
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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