chempirical

3′,6′-Diacetylfluorescein

C24H16O7CAS 596-09-8416.39 g/mol

Open in Covalent MOL file
OOOOOOO
EsterEtherLactone

Properties

Molecular formula
C24H16O7
Molar mass
416.39 g/mol
Exact mass
416.0896 Da
Melting point
205–206 °C
logP
4.11Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
2

Identifiers

CAS number
596-09-8
SMILES
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccccc21
InChIKey
CHADEQDQBURGHL-UHFFFAOYSA-N
InChI
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Fluorescein, diacetate
  • Fluorescein 3′,6′-diacetate
  • MFCD 5062
  • NSC 4726
  • NSC 667259
  • F 1303
  • FDA
  • (6′-Acetyloxy-3-oxospiro[2-benzofuran-1,9′-xanthene]-3′-yl) acetate
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-bis(acetyloxy)-
  • 3′,6′-Bis(acetyloxy)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • Fluorescein diacetate

Work with 3′,6′-Diacetylfluorescein

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

Fluorescein2321-07-561 % similar 3′,6′-Dichlorospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one630-88-661 % similar Sodium fluorescein518-47-858 % similar Solvent red 49509-34-257 % similar Dichlorofluorescein76-54-051 % similar Naphtholphthalein596-01-046 % similar 1,2,4-Triacetoxybenzene613-03-646 % similar P-Xylenolphthalein50984-88-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook