3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid

C₄₂H₂₄O₁₄CAS 72088-94-9752.64 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Ether Lactone Phenol

Properties

Molecular formula: C₄₂H₂₄O₁₄
Molar mass: 752.64 g/mol
Exact mass: 752.1166 Da
logP: 6.73Crippen estimate
Polar surface area: 226.6 Å²
H-bond donors / acceptors: 6 / 12
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

72088-94-9

SMILES

C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChIKey

BPVHBBXCESDRKW-UHFFFAOYSA-N

InChI

InChI=1S/2C21H12O7/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;22-11-2-5-14-17(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/h2*1-9,22-23H,(H,24,25)

Weigh it out

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

Names and synonyms

6 names

Carboxyfluorescein
Spiro[isobenzofuran-1(3H),9′-[9H]xanthene]-ar-carboxylic acid, 3′,6′-dihydroxy-3-oxo-
3′,6′-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-ar-carboxylic acid
Fluoresceincarboxylic acid
5(6)-Carboxyfluorescein
C 194

Work with 3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid

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-Carboxyfluorescein3301-79-993 % similar 5-FAM76823-03-593 % similar Fluorescein2321-07-567 % similar 5-Aminofluorescein3326-34-963 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-363 % similar 6-Carboxyfluorescein diacetate3348-03-663 % similar 5-Carboxyfluorescein N-succinimidyl ester92557-80-763 % similar Carboxyfluorescein succinimidyl ester92557-81-863 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook