chempirical

6-Carboxyfluorescein

C21H12O7CAS 3301-79-9376.32 g/mol

Open in Covalent MOL file
OOHOOOHOHO
Carboxylic acidEsterEtherLactonePhenol

Properties

Molecular formula
C21H12O7
Molar mass
376.32 g/mol
Exact mass
376.0583 Da
Melting point
above 360 °C
logP
3.36Crippen estimate
Polar surface area
113.3 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
1

Identifiers

CAS number
3301-79-9
SMILES
O=C(O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21
InChIKey
BZTDTCNHAFUJOG-UHFFFAOYSA-N
InChI
InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25)

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Names and synonyms

7 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylic acid, 3′,6′-dihydroxy-3-oxo-
  • Spiro[phthalan-1,9′-xanthene]-6-carboxylic acid, 3′,6′-dihydroxy-3-oxo-
  • Terephthalic acid, (3,6,9-trihydroxyxanthen-9-yl)-, γ-lactone
  • 3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylic acid
  • Fluorescein, 6-carboxy-
  • 6-FAM
  • 3′,6′-Dihydroxy-1-oxospiro[2-benzofuran-3,9′-xanthene]-5-carboxylic acid

Work with 6-Carboxyfluorescein

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorescein2321-07-568 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-367 % similar Carboxyfluorescein succinimidyl ester92557-81-867 % similar 5-Aminofluorescein3326-34-961 % similar Fluorescein 5-isothiocyanate3326-32-754 % similar 4,5,6,7-Tetrachlorofluorescein6262-21-151 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-646 % similar 6-Hydroxy-2-naphthoic acid16712-64-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Fam76823-03-5

Elsewhere

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