AG000ECV

117464-70-7 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dipropanoic acid, 3',6'-bis(acetyloxy)-5(or 6)-[[(acetyloxy)methoxy]carbonyl]-3-oxo-, 2',7'-bis[(acetyloxy)methyl] ester

AG000ECV

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CAS Number	117464-70-7
Catalog Number	AG000ECV(AGN-PC-0PAIZM)
Chemical Name	Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dipropanoic acid, 3',6'-bis(acetyloxy)-5(or 6)-[[(acetyloxy)methoxy]carbonyl]-3-oxo-, 2',7'-bis[(acetyloxy)methyl] ester
EC Number	601-479-4
IUPAC Name	acetyloxymethyl 3',6'-bis(acetyloxymethoxy)-2',7'-bis[3-(acetyloxymethoxy)-3-oxopropyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate
InChI	InChI=1S/C42H40O21/c1-22(43)52-17-57-34-15-36-32(13-27(34)7-10-38(48)59-19-54-24(3)45)42(31-9-6-29(12-30(31)41(51)63-42)40(50)61-21-56-26(5)47)33-14-28(8-11-39(49)60-20-55-25(4)46)35(16-37(33)62-36)58-18-53-23(2)44/h6,9,12-16H,7-8,10-11,17-21H2,1-5H3
InChI Key	NTECHUXHORNEGZ-UHFFFAOYSA-N
MDL Number	MFCD00036969
Molecular Formula	C80H72O38
Molecular Weight	1641.4049
SMILES	C12(C3=C(C=C(OC(C)=O)C(CCC(OCOC(C)=O)=O)=C3)OC3=C1C=C(CCC(OCOC(C)=O)=O)C(OC(C)=O)=C3)C1=C(C=C(C(OCOC(C)=O)=O)C=C1)C(=O)O2.C12(C3=C(C=C(OC(C)=O)C(CCC(OCOC(C)=O)=O)=C3)OC3=C1C=C(CCC(OCOC(C)=O)=O)C(OC(C)=O)=C3)C1=C(C=CC(C(OCOC(C)=O)=O)=C1)C(=O)O2
Synonyms	2',7'-bis-(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester, 2',7'-CCAE, BCECF-AM, bis(carboxyethyl)carboxyfluorescein acetoxymethyl ester, 117464-70-7, BCECF-acetoxymethyl, BCECF-AM solution, MFCD00036969, 2',7'-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester, SCHEMBL15570087, AKOS015916474, ZINC169730836, FT-0622598, J-100048, I14-51975, BCECF-AM solution (5 mM in DMSO), 1 mg in 0.25 ml DMSO, Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-dipropanoic acid, 2',7'-bis(2-Carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester Mixed isomers, 2 inverted exclamation marka,7 inverted exclamation marka-Bis(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester, 2 inverted exclamation marka,7 inverted exclamation marka-bis(2-Carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester Mixed isomers, 3',6'-Bis(acetyloxy)-5(or 6)-[[(acetyloxy)methoxy]carbonyl]-3-oxo-spiro[isobenzofuran-1(3H ),9'-[9H ]xanthene]-2',7'-dipropanoic acid 2',7'-bis[(acetyloxy)methyl] ester, Spiro(isobenzofuran-1(3H),9 inverted exclamation marka-(9H)xanthene)-2 inverted exclamation marka,7 inverted exclamation marka-dipropanoic acid, Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',7'-dipropanoic acid, 3',6'-bis(acetyloxy)-5(or 6)-[[(acetyloxy)methoxy]carbonyl]-3-oxo-, 2',7'-bis[(acetyloxy)methyl] ester, Bcecf-AM, BCECF/AM, 2',7'-Ccae, C40H36O19, C40-H36-O19, B5370, Bis(carboxyethyl)carboxyfluorescein acetoxymethyl ester, 2',7'-Bis-(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester, 2',7'-bis(2-Carboxyethyl)-5(6)-carboxyfluorescein tetrakis-(acetoxymethyl) ester,

Complexity	1610
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	880.206g/mol
Formal Charge	0
Heavy Atom Count	63
Hydrogen Bond Acceptor Count	21
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	880.761g/mol
Monoisotopic Mass	880.206g/mol
Rotatable Bond Count	27
Topological Polar Surface Area	264A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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