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Molecule
5-Fam
CAS: 76823-03-5 · C21H12O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76823-03-5
- Molecular Formula
- C21H12O7
- Molecular Mass
- 376.32 g/mol
Identifiers
CAS Registry Number
76823-03-5
SMILES
O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21
InChI Key
NJYVEMPWNAYQQN-UHFFFAOYSA-N
InChI
InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
Names and Synonyms
- 5-Fam Synonym
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid, 3′,6′-dihydroxy-3-oxo- Synonym
- 3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-5-carboxylic acid Synonym
- 5-Carboxyfluorescein Synonym
- FAM Synonym
- FAM (dye) Synonym
- FAM 494/520 Synonym
- 5-FAM Synonym
- 73: PN: WO2016072662 SEQID: 73 claimed sequence Synonym
- Flamma 456 Carboxylic acid Synonym
- Hydroxyfluorescein Synonym
- 3′,6′-Dihydroxy-3-oxospiro[2-benzofuran-1,9′-xanthene]-5-carboxylic acid Synonym
- 3′,6′-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9′-xanthene]-5-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 376.32 g/mol | CAS Common Chemistry |
| 376.3200000000001 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC=C2C(=C1)C(=O)OC32C4=CC=C(O)C=C4OC5=CC(O)=CC=C53 | CAS Common Chemistry |
| InChI | InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25) | CAS Common Chemistry |
| InChI Key | InChIKey=NJYVEMPWNAYQQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-FAM | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 113.29 Ų | RDKit |
| LogP | 3.3640000000000017 | RDKit |
| 3.364 | RDKit | |
| Molar Refractivity | 94.98640000000002 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0476 | RDKit |
| 0.05 | chempirical lib | |
| Exact Mass | 376.058302724 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 376.32 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H12O7.
