AG00AQ69

150322-01-3 | 1-[3',6'-Bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-1H-pyrrole-2,5-dione

AG00AQ69

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CAS Number	150322-01-3
Catalog Number	AG00AQ69(AGN-PC-0Q4KZV)
Chemical Name	1-[3',6'-Bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-1H-pyrrole-2,5-dione
IUPAC Name	[6'-acetyloxy-5-(2,5-dioxopyrrol-1-yl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
InChI	InChI=1S/C28H17NO9/c1-14(30)35-17-4-7-21-23(12-17)37-24-13-18(36-15(2)31)5-8-22(24)28(21)20-6-3-16(11-19(20)27(34)38-28)29-25(32)9-10-26(29)33/h3-13H,1-2H3
InChI Key	WZBJWHQRQDEKOF-UHFFFAOYSA-N
MDL Number	MFCD00077346
Molecular Formula	C28H17NO9
Molecular Weight	511.4359
SMILES	O=C(C=C1)N(C2=CC3=C(C(C4=C(OC6=C5C=CC(OC(C)=O)=C6)C=C(OC(C)=O)C=C4)5OC3=O)C=C2)C1=O
Synonyms	Fluorescein diacetate 5-maleimide, 150322-01-3, 5-(N-Maleimido)fluorescein diacetate, 5-Maleimido-fluorescein diacetate, J-100157, AC1NCNIA, SCHEMBL19430141, C28H17NO9, DTXSID30404274, Fluorescein-5-maleimide diacetate, ZINC4556982, 6728AH, MFCD00077346, AKOS025312406, A-7252, Fluorescein diacetate 5-maleimide, suitable for fluorescence, [6'-acetyloxy-5-(2,5-dioxopyrrol-1-yl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate, 1-[3',6'-Bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-1H-pyrrole-2,5-dione, 5'-(2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-yl)-3,6-diacetoxyspiro[9H-xanthene-9,1'(3'H)-isobenzofuran]-3'-one, 5-Maleimido-fluorescein diacetate/ 1-[3',6'-Bis(acetyloxy)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl]-1H-pyrrole-2,5-dione, CID4561711, [6'-acetyloxy-5-(2,5-dioxopyrrol-1-yl)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] Acetate,

Complexity	1030
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	511.09g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	511.442g/mol
Monoisotopic Mass	511.09g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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