AG01EO3C

Name: ATP-Red 1
Brand: Angene Chemical
SKU: AG01EO3C

1847485-97-5 | ATP-Red 1

AG01EO3C

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CAS Number	1847485-97-5
Catalog Number	AG01EO3C(AGN-PC-3H465M)
Chemical Name	ATP-Red 1
IUPAC Name	[2-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]phenyl]boronic acid
InChI	InChI=1S/C34H36BN3O4/c1-5-36(6-2)23-17-19-27-31(21-23)42-32-22-24(37(7-3)8-4)18-20-28(32)34(27)26-14-10-9-13-25(26)33(39)38(34)30-16-12-11-15-29(30)35(40)41/h9-22,40-41H,5-8H2,1-4H3
InChI Key	SSNKNUIFMZUJTL-UHFFFAOYSA-N
MDL Number	MFCD31619324
Molecular Formula	C34H36BN3O4
Molecular Weight	561.4783
SMILES	C(C)N(C=1C=CC=2C3(C4=CC=C(C=C4OC2C1)N(CC)CC)N(C(C1=CC=CC=C13)=O)C1=C(C=CC=C1)B(O)O)CC
Synonyms	ATP-Red 1, 1847485-97-5, HY-U00451, CS-0035407, J3.546.515D, 3,6-Bis(diethylamino)-2'-[2-(dihydroxyboryl)phenyl]spiro[9H-xanthene-9,1'-isoindoline]-3'-one,

Complexity	893
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	561.28g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	561.489g/mol
Monoisotopic Mass	561.28g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited