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Erythrosine

CAS: 16423-68-0 | C20H8I4Na2O5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 16423-68-0
Molecular Formula: C20H8I4Na2O5
Molecular Weight: 881.8750000000001 g/mol

Names and Synonyms:

Erythrosine
Erythrosine E 127
Erythrosine Red 3
Erythrosine 3
Japan Food Red No. 3
Red 3
Red No. 3
Basovit Red 425E
Necol Erythrosine
FD&C Red No. 3-37003
Usacert FD & C Red No. 3-310116
Simacid Pink 24107
Erythrosine 37003
Eurocert Erythrosine 311807
Cogilor Red 312.10
Erythrosine 36003
FD & C Red No. 3-307020
Neelicol Erythrosine
Water Pink 176575
Erythrosine 307046
D&C Red No. 3
Food Red 3
FD and C Red 3
Ceplac
Erythrosin B
FDC Red 3 dye
Red 1799
Erythrosin BS
Edicol Supra Erythrosin AS
Synerid
FDC Red 3
Erythrosine I
Japan Red No. 3
Aizen Food Red 3
Japan Red 3
S 887
Erythrosine extra bluish
E 127
Food Red No. 3
Food Color Red 3
2,4,5,7-Tetraiodofluorescein disodium salt
FD&C Red No. 3
Erythrosin B sodium salt
2′,4′,5′,7′-Tetraiodofluorescein disodium salt
D and C Red No. 3
Food Red 14
Acid Red 51
Food Dye Red 3
Erythrosine Extra
Usacert Red No. 3
Tetraiodofluorescein sodium salt
New Pink Bluish Geigy
Maple Erythrosine
Hexacol Erythrosine BS
Hexacert Red No. 3
Erythrosine TB Extra
Erythrosine TB
Erythrosine B-FO
Erythrosine K-FO
Erythrosine Extra Pure A
Erythrosine Extra Conc. A Export
Erythrosine 3B
Edicol Supra Erythrosine A
Dolkwal Erythrosine
C.I. Food Red 14
C.I. Acid Red 51
Cilefa Pink B
Canacert Erythrosine BS
Calcocid Erythrosine N
Aizen Erythrosine
C.I. 45430
1671 Red
1427 Red
Erythrosin
FD and C Red No. 3
Erythrosine
Erythrosine BS
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, disodium salt
Erythrosine B
Fluorescein, 2′,4′,5′,7′-tetraiodo-, disodium salt
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, sodium salt (1:2)
Erythrosine Bluish

Identifiers:

SMILES:
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I.[Na].[Na]
InChI:
InChI=1S/C20H8I4O5.2Na/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;;

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 881.8750000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 881.6346039160001 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 31 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 5 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 3 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 75.99000000000001 Ų RDKit

Physical Properties

Property Value Source
LogP 5.322600000000003 RDKit
molecular_mass 881.88 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Erythrosine None Legacy Database
cas-canonical-smile [Na].O=C1OC2(C=3C=CC=CC13)C4=CC(I)=C(O)C(I)=C4OC5=C(I)C(O)=C(I)C=C52 None Legacy Database
cas-inchi InChI=1S/C20H8I4O5.2Na/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;; None Legacy Database
cas-inchi-key InChIKey=DVUWFIWQOSNKQJ-UHFFFAOYSA-N None Legacy Database
cas-name Erythrosine None Legacy Database
wikipedia-name Erythrosine None Legacy Database

Molar

Property Value Source
Molar Refractivity 150.4030999999999 RDKit

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