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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 Mass:
881.88 g/mol
Names and Synonyms:
Erythrosine
Erythrosine Bluish
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, sodium salt (1:2)
Fluorescein, 2′,4′,5′,7′-tetraiodo-, disodium salt
Erythrosine B
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, disodium salt
Erythrosine BS
Erythrosine
FD and C Red No. 3
Erythrosin
1427 Red
1671 Red
C.I. 45430
Aizen Erythrosine
Calcocid Erythrosine N
Canacert Erythrosine BS
Cilefa Pink B
C.I. Acid Red 51
C.I. Food Red 14
Dolkwal Erythrosine
Edicol Supra Erythrosine A
Erythrosine 3B
Erythrosine Extra Conc. A Export
Erythrosine Extra Pure A
Erythrosine K-FO
Erythrosine B-FO
Erythrosine TB
Erythrosine TB Extra
Hexacert Red No. 3
Hexacol Erythrosine BS
Maple Erythrosine
New Pink Bluish Geigy
Tetraiodofluorescein sodium salt
Usacert Red No. 3
Erythrosine Extra
Food Dye Red 3
Acid Red 51
Food Red 14
D and C Red No. 3
2′,4′,5′,7′-Tetraiodofluorescein disodium salt
Erythrosin B sodium salt
FD&C Red No. 3
2,4,5,7-Tetraiodofluorescein disodium salt
Food Color Red 3
Food Red No. 3
E 127
Erythrosine extra bluish
S 887
Japan Red 3
Aizen Food Red 3
Japan Red No. 3
Erythrosine I
FDC Red 3
Synerid
Edicol Supra Erythrosin AS
Erythrosin BS
Red 1799
FDC Red 3 dye
Erythrosin B
Ceplac
FD and C Red 3
Food Red 3
D&C Red No. 3
Erythrosine 307046
Water Pink 176575
Neelicol Erythrosine
FD & C Red No. 3-307020
Erythrosine 36003
Cogilor Red 312.10
Eurocert Erythrosine 311807
Erythrosine 37003
Simacid Pink 24107
Usacert FD & C Red No. 3-310116
FD&C Red No. 3-37003
Necol Erythrosine
Basovit Red 425E
Red No. 3
Red 3
Japan Food Red No. 3
Erythrosine 3
Erythrosine Red 3
Erythrosine E 127
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 881.88 g/mol | CAS Common Chemistry |
| 881.8750000000001 g/mol | RDKit | |
| 881.6346039160001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Erythrosine | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1OC2(C=3C=CC=CC13)C4=CC(I)=C(O)C(I)=C4OC5=C(I)C(O)=C(I)C=C52 | CAS Common Chemistry |
| 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;; | CAS Common Chemistry |
| InChI Key | InChIKey=DVUWFIWQOSNKQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Erythrosine | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 75.99000000000001 Ų | RDKit |
| LogP | 5.322600000000003 | RDKit |
| Molar Refractivity | 150.4030999999999 | RDKit |
