AG00348M

79955-27-4 | 5-Carboxyfluorescein Diacetate

AG00348M

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CAS Number	79955-27-4
Catalog Number	AG00348M(AGN-PC-0JMNBR)
Chemical Name	5-Carboxyfluorescein Diacetate
IUPAC Name	3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
InChI	InChI=1S/C25H16O9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)25(19)18-6-3-14(23(28)29)9-17(18)24(30)34-25/h3-11H,1-2H3,(H,28,29)
InChI Key	WPUZGNPQMIWOHE-UHFFFAOYSA-N
MDL Number	MFCD00036872
Molecular Formula	C25H16O9
Molecular Weight	460.3891
SMILES	CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3ccc(c2)C(=O)O)ccc(c1)OC(=O)C
Synonyms	5-carboxyfluorescein diacetate, CFDA-5, 5-Carboxyfluorescein diacetate, 79955-27-4, 5-CFDA, 3',6'-Diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid, 3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid, 5-Carboxy-di-O-acetylfluorescein, MFCD00036872, J-100071, Cfda-5, Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylicacid, 3',6'-bis(acetyloxy)-3-oxo-, AC1L32JB, AC1Q62IP, CHEMBL493815, SCHEMBL6663204, CTK2H8491, BIC1071, DTXSID00229971, WPUZGNPQMIWOHE-UHFFFAOYSA-N, ZX-AFC003084, HY-D0047, ZINC4536021, CC-924, EBD121910, AKOS015902367, CS-3525, RTR-025342, VZ30168, 3',6'-Bis(acetyloxy)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6'-diacetoxy-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid, KS-0000001E, AJ-51601, AK114401, AX8221257, TR-025342, FT-0620191, 5-Carboxyfluorescein diacetate, ~95% (HPLC), 955C274, I14-19797, 3',6'-Bis(acetyloxy)-3-oxo-spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylic Acid, 3',6'-diacetoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid, Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6'-bis(acetyloxy)-3-oxo-, 5(6)-Carboxyfluorescein diacetate, AR-1E9941, CID133314, C25-H16-O9, C2859, C084577, 5-Carboxyfluorescein diacetate, 95% - 250MG 250mg, 84120-26-3,

Complexity	828
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	460.079g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	460.394g/mol
Monoisotopic Mass	460.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number