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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid72088-94-993 % similar Fluorescein2321-07-568 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-367 % similar 6-Carboxyfluorescein diacetate3348-03-667 % similar Carboxyfluorescein succinimidyl ester92557-81-867 % similar 5-Aminofluorescein3326-34-961 % similar Fluorescein 6-isothiocyanate18861-78-460 % similar 5-Carboxyfluorescein N-succinimidyl ester92557-80-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-FAM76823-03-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia