6-Carboxyfluorescein diacetate

C25H16O9CAS 3348-03-6460.39 g/mol

Open in Covalent MOL file
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Carboxylic acidEsterEtherLactone

Properties

Molecular formula
C25H16O9
Molar mass
460.39 g/mol
Exact mass
460.0794 Da
logP
3.80Crippen estimate
Polar surface area
125.4 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3348-03-6
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3
InChIKey
QMOGCCYGOPYYNT-UHFFFAOYSA-N
InChI
InChI=1S/C25H16O9/c1-12(26)31-15-4-7-18-21(10-15)33-22-11-16(32-13(2)27)5-8-19(22)25(18)20-9-14(23(28)29)3-6-17(20)24(30)34-25/h3-11H,1-2H3,(H,28,29)

Weigh it out

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Work with 6-Carboxyfluorescein diacetate

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′-Diacetylfluorescein596-09-870 % similar 6-Carboxyfluorescein3301-79-967 % similar 3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-ar-carboxylic acid72088-94-963 % similar 5-FAM76823-03-558 % similar 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-053 % similar p-Acetoxybenzoic acid2345-34-850 % similar 3-(Acetyloxy)benzoic acid6304-89-849 % similar Carboxyfluorescein succinimidyl ester92557-81-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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