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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 5.322600000000003 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 150.4030999999999 | RDKit |
