6'-(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl acetate

• ChemBase ID: 102445
• Molecular Formular: C24H16O7
• Molecular Mass: 416.37964
• Monoisotopic Mass: 416.08960285
• SMILES: CC(=O)Oc1ccc2c(Oc3c(ccc(OC(=O)C)c3)C32OC(=O)c2c3cccc2)c1
• Canonical SMILES: CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)C
• 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
• InChIKey: CHADEQDQBURGHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl acetate
• IUPAC Traditional name: fluorescein, diacetate
• Synonyms: Fluorescein diacetate; 3,6-Diacetoxyfluoran; Di-O-acetylfluorescein; FLUORESCEIN DIACETATE; 荧光素二乙酸盐

Database IDs

• CAS Number: 596-09-8
• EC Number: 209-877-6
• MDL Number: MFCD00005062
• Beilstein Number: 62575
• PubChem SID: 162088662; 24894939
• PubChem CID: 65047

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7019954
• LogD (pH = 7.4): 3.7019954
• Log P: 3.7019954
• Molar Refractivity: 109.5231 cm^3
• Polarizability: 42.07508 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200-203 °C(lit.); 200-203°C; 203-206 °C
• Absorption Wavelength: λmax 498 nm
• Fluorescence: λex 490 nm; λem 514 nm in 0.1 M Tris pH 8.0 (esterase)

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (HPLC); 97%; 98%
• Grade: for fluorescence
• Empirical Formula (Hill Notation): C24H16O7

DETAILS

MP Biomedicals - 02101716

Crystalline
Used as substrate for esterases.

Sigma Aldrich - F7378

Frequently Asked Questions
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包装
5, 10, 25, 100 g in glass bottle
Substrates
Lipase substrate

Sigma Aldrich - 201642

Packaging
5 g in glass bottle

Sigma Aldrich - 31545

Other Notes
Fluorescent substrate for studies on intracellular interactions and membrane permeability1