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Molecule
Erythrosine
CAS: 16423-68-0 · C20H8I4Na2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16423-68-0
- Molecular Formula
- C20H8I4Na2O5
- Molecular Mass
- 881.88 g/mol
Identifiers
CAS Registry Number
16423-68-0
SMILES
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I.[Na].[Na]
InChI Key
DVUWFIWQOSNKQJ-UHFFFAOYSA-N
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;;
Names and Synonyms
- Erythrosine Common Name
- Erythrosine Bluish Synonym
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, sodium salt (1:2) Synonym
- Fluorescein, 2′,4′,5′,7′-tetraiodo-, disodium salt Synonym
- Erythrosine B Synonym
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-2′,4′,5′,7′-tetraiodo-, disodium salt Synonym
- Erythrosine BS Synonym
- Erythrosine Synonym
- FD and C Red No. 3 Synonym
- Erythrosin Synonym
- 1427 Red Synonym
- 1671 Red Synonym
- C.I. 45430 Synonym
- Aizen Erythrosine Synonym
- Calcocid Erythrosine N Synonym
- Canacert Erythrosine BS Synonym
- Cilefa Pink B Synonym
- C.I. Acid Red 51 Synonym
- C.I. Food Red 14 Synonym
- Dolkwal Erythrosine Synonym
- Edicol Supra Erythrosine A Synonym
- Erythrosine 3B Synonym
- Erythrosine Extra Conc. A Export Synonym
- Erythrosine Extra Pure A Synonym
- Erythrosine K-FO Synonym
- Erythrosine B-FO Synonym
- Erythrosine TB Synonym
- Erythrosine TB Extra Synonym
- Hexacert Red No. 3 Synonym
- Hexacol Erythrosine BS Synonym
- Maple Erythrosine Synonym
- New Pink Bluish Geigy Synonym
- Tetraiodofluorescein sodium salt Synonym
- Usacert Red No. 3 Synonym
- Erythrosine Extra Synonym
- Food Dye Red 3 Synonym
- Acid Red 51 Synonym
- Food Red 14 Synonym
- D and C Red No. 3 Synonym
- 2′,4′,5′,7′-Tetraiodofluorescein disodium salt Synonym
- Erythrosin B sodium salt Synonym
- FD&C Red No. 3 Synonym
- 2,4,5,7-Tetraiodofluorescein disodium salt Synonym
- Food Color Red 3 Synonym
- Food Red No. 3 Synonym
- E 127 Synonym
- Erythrosine extra bluish Synonym
- S 887 Synonym
- Japan Red 3 Synonym
- Aizen Food Red 3 Synonym
- Japan Red No. 3 Synonym
- Erythrosine I Synonym
- FDC Red 3 Synonym
- Synerid Synonym
- Edicol Supra Erythrosin AS Synonym
- Erythrosin BS Synonym
- Red 1799 Synonym
- FDC Red 3 dye Synonym
- Erythrosin B Synonym
- Ceplac Synonym
- FD and C Red 3 Synonym
- Food Red 3 Synonym
- D&C Red No. 3 Synonym
- Erythrosine 307046 Synonym
- Water Pink 176575 Synonym
- Neelicol Erythrosine Synonym
- FD & C Red No. 3-307020 Synonym
- Erythrosine 36003 Synonym
- Cogilor Red 312.10 Synonym
- Eurocert Erythrosine 311807 Synonym
- Erythrosine 37003 Synonym
- Simacid Pink 24107 Synonym
- Usacert FD & C Red No. 3-310116 Synonym
- FD&C Red No. 3-37003 Synonym
- Necol Erythrosine Synonym
- Basovit Red 425E Synonym
- Red No. 3 Synonym
- Red 3 Synonym
- Japan Food Red No. 3 Synonym
- Erythrosine 3 Synonym
- Erythrosine Red 3 Synonym
- Erythrosine E 127 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 881.88 g/mol | CAS Common Chemistry |
| 881.8750000000001 g/mol | RDKit | |
| 881.875 g/mol | RDKit | |
| 883.891 g/mol | chempirical lib | |
| 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 |
| 75.99 Ų | RDKit | |
| LogP | 5.322600000000003 | RDKit |
| 5.3226 | RDKit | |
| 5.81 | chempirical lib | |
| Molar Refractivity | 150.4030999999999 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 881.6346039160001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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
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MW = 881.88 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H8I4Na2O5.
