Home > Compound List > Compound details
596-09-8 molecular structure
click picture or here to close

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 and InChIs

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

Cite this record

CBID:102445 http://www.chembase.cn/molecule-102445.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
596-09-8
EC Number
209-877-6
MDL Number
MFCD00005062
Beilstein Number
62575
PubChem SID
24894939
162088662
PubChem CID
65047

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7019954  LogD (pH = 7.4) 3.7019954 
Log P 3.7019954  Molar Refractivity 109.5231 cm3
Polarizability 42.07508 Å3 Polar Surface Area 88.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
200-203 °C(lit.) expand Show data source
200-203°C expand Show data source
203-206 °C expand Show data source
Absorption Wavelength
λmax 498 nm expand Show data source
Fluorescence
λex 490 nm; λem 514 nm in 0.1 M Tris pH 8.0 (esterase) expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
for fluorescence expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C24H16O7 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02101716 external link
Crystalline
Used as substrate for esterases.
Sigma Aldrich - F7378 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
5, 10, 25, 100 g in glass bottle
Substrates
Lipase substrate
Sigma Aldrich - 201642 external link
Packaging
5 g in glass bottle
Sigma Aldrich - 31545 external link
Other Notes
Fluorescent substrate for studies on intracellular interactions and membrane permeability1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle