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4',5'-Dibromofluorescein

CAT: 0931-T20030Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T20030Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
596-03-2
Target
Others
Related Pathways
Others
Bioactivity
4',5'-Dibromofluorescein (Eosinic acid) is a fluorescent dye utilized as a ligand in protein characterization through spectroscopic analysis.
Smiles
OC1=C(Br)C2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C(Br)=C(O)C=C1
Molecular Formula
C20H10Br2O5
Molecular Weight
490.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D & C Orange No. 5
CAS Number596-03-2
PubChem CID11689
IUPAC Name4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H10Br2O5
Molecular Weight490.1
XLogP4.8
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity585
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
InChI
InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
ZDTNHRWWURISAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D & C Orange No. 5
CAS: 596-03-2
CID: 11689
Formula: C20H10Br2O5
MW: 490.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.1
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass489.88745
Monoisotopic Mass487.88950
Topological Polar Surface Area76 Ų
Heavy Atom Count27
Formal Charge0
Complexity585
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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