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Sodium Fluorescein
CAS: 518-47-8 | C20H12Na2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 518-47-8
- Molecular Formula
- C20H12Na2O5
- Molecular Mass
- 378.29 g/mol
Identifiers
CAS Registry Number
518-47-8
SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21.[Na].[Na]
InChI Key
MOUPEUAUBSXMLI-UHFFFAOYSA-N
InChI
InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;;
Names and Synonyms
- Sodium Fluorescein Common Name
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-, sodium salt (1:2) Synonym
- Fluorescein, disodium salt Synonym
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-, disodium salt Synonym
- Fluorin Synonym
- Aizen Uranine Synonym
- Calcocid Uranine B 4315 Synonym
- Certiqual Fluoresceine Synonym
- C.I. Acid Yellow 73 Synonym
- Fluorescein sodium Synonym
- Fluorescein Sodium B.P Synonym
- Furanium Synonym
- Hidacid Uranine Synonym
- Resorcinol phthalein sodium Synonym
- Sodium fluorescein Synonym
- Sodium fluoresceinate Synonym
- Soluble Fluorescein Synonym
- Soluble Fluoresceine BPS Synonym
- Uranin Synonym
- Uranine Synonym
- Uranine A extra Synonym
- Uranine SS Synonym
- Uranine WSS Synonym
- Uranine O Synonym
- 11824 Yellow Synonym
- 12417 Yellow Synonym
- C.I. 45350 Synonym
- D and C Yellow No. 8 Synonym
- Fluorescein sodium salt Synonym
- Fluorescein disodium Synonym
- Disodium fluorescein Synonym
- Uranin S Synonym
- 3058 Uranine Synonym
- Fluo-rectal Synonym
- Fluorescite Synonym
- Fluor-I-Strip Synonym
- Ful-Glo Synonym
- Obiturine Synonym
- Uranine A Synonym
- Japan Yellow 202(1) Synonym
- Acid Yellow 73 Synonym
- Uranin A Synonym
- Basacid Yellow 226 Synonym
- Fluorescein LT Synonym
- Flurenate Synonym
- D & C Yellow 8 Synonym
- Uranin Conc Synonym
- D&C Yellow No. 8 Synonym
- 5(6)-Carboxyfluorescein sodium Synonym
- Fluoresceine DTD 842 Synonym
- Victacid Uranine Synonym
- Urane U 307027 Synonym
- Fluoresein Synonym
- Basovit Yellow 227 Synonym
- Simacid Fluoresceine Sodium Synonym
- Sicomet Uranine S 45350 Synonym
- Fluoresceine Extra 019187 Synonym
- Simacid Fluoresceine LT Synonym
- Dinacid Florescence Uranine Synonym
- Cogilor Yellow 111.10 Synonym
- D&C Yellow No. 8-307225 Synonym
- Victacid Uranine VDC Synonym
- Neelicol Fluorescein Synonym
- Triacid Fluoresceine Synonym
- Abbey Uranine Synonym
- Dinacid Florescinece Uranine Synonym
- ABCO Uranine Synonym
- Sicomet Uranin S 45350 Synonym
- Neelicol Uranine Synonym
- Uranine SSO Synonym
- Yellow No. 202-1 Synonym
- Yellow 202-1 Synonym
- Fluorescein, soluble Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 378.29 g/mol | CAS Common Chemistry |
| 378.29100000000005 g/mol | RDKit | |
| 378.291 g/mol | RDKit | |
| 380.307 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1OC2(C3=CC=C(O)C=C3OC4=CC(O)=CC=C42)C=5C=CC=CC15 | CAS Common Chemistry |
| InChI | InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20;;/h1-10,21-22H;; | CAS Common Chemistry |
| InChI Key | InChIKey=MOUPEUAUBSXMLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium fluorescein | CAS Common Chemistry |
| Heavy Atom Count | 27 | 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 | 2.904200000000002 | RDKit |
| 2.9042 | RDKit | |
| Molar Refractivity | 99.53510000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.05 | RDKit |
| Exact Mass | 378.0480120440001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
