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Erythrosine Sodium

CAT: 1299-RM-E182400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E182400-01Size:10 mg
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CAS Number
16423-68-0
Synonyms
Sodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis (olate)
Molecular Formula
C20H6I4Na2O5
Molecular Weight
879.86
Target Alternative Name
Erythrosine
Product Name Synonym
Sodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis (olate)

Chemical Information

Erythrosine

Fd&c red no. 3 is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").<br /> Fd&c red no. 3 belongs to the family of Xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.

CAS Number16423-68-0
PubChem CID3259
IUPAC Name3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular FormulaC20H8I4O5
Molecular Weight835.9
XLogP6
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I
InChI
InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChIKey
OALHHIHQOFIMEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erythrosine
CAS: 16423-68-0
CID: 3259
Formula: C20H8I4O5
MW: 835.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.9
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass835.6551
Monoisotopic Mass835.6551
Topological Polar Surface Area76 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
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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598492Erythrosine sodium (close form)
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HY-107864AErythrosine B (aluminum)
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