chempirical

Carboxyfluorescein succinimidyl ester

C25H15NO9CAS 92557-81-8473.39 g/mol

Open in Covalent MOL file
OONOOOOOHOHO
AmideEsterEtherLactamLactonePhenol

Properties

Molecular formula
C25H15NO9
Molar mass
473.39 g/mol
Exact mass
473.0747 Da
logP
2.89Crippen estimate
Polar surface area
139.7 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
2

Identifiers

CAS number
92557-81-8
SMILES
O=C(ON1C(=O)CCC1=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21
InChIKey
VDABVNMGKGUPEY-UHFFFAOYSA-N
InChI
InChI=1S/C25H15NO9/c27-13-2-5-16-19(10-13)33-20-11-14(28)3-6-17(20)25(16)18-9-12(1-4-15(18)24(32)34-25)23(31)35-26-21(29)7-8-22(26)30/h1-6,9-11,27-28H,7-8H2

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Names and synonyms

7 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-6-carboxylic acid, 3′,6′-dihydroxy-3-oxo-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Pyrrolidinedione, 1-[[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-6-yl)carbonyl]oxy]-
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthene], 2,5-pyrrolidinedione deriv.
  • 6-Carboxyfluorescein succinimidyl ester
  • Fluorescein-6-carboxylic acid N-succinimidyl ester
  • 6-Carboxyfluorescein N-hydroxysuccinimide ester
  • (2,5-Dioxopyrrolidin-1-yl) 3′,6′-dihydroxy-1-oxospiro[2-benzofuran-3,9′-xanthene]-5-carboxylate

Work with Carboxyfluorescein succinimidyl ester

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

6-Carboxyfluorescein3301-79-967 % similar Fluorescein2321-07-560 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-360 % similar 5-Fam76823-03-558 % similar 5-Aminofluorescein3326-34-954 % similar Fluorescein 5-isothiocyanate3326-32-749 % similar 4,5,6,7-Tetrachlorofluorescein6262-21-146 % similar Solvent red 49509-34-242 % similar

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

Elsewhere

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