2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate; 2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxylate

2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate; 2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-6-carboxylate

CAS: 246256-50-8

Formula: C58H50N6O14

SMILES: CN(C)C1=CC2=C(C=C1)C1(OC(=O)C3=CC(=CC=C13)C(=O)ON1C(=O)CCC1=O)C1=CC=C(C=C1O2)N(C)C.CN(C)C1=CC2=C(C=C1)C1(OC(=O)C3=CC=C(C=C13)C(=O)ON1C(=O)CCC1=O)C1=CC=C(C=C1O2)N(C)C

IUPAC: 2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate; 2,5-dioxopyrrolidin-1-yl 3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylate

InChI: InChI=1S/2C29H25N3O7/c1-30(2)17-6-9-21-23(14-17)37-24-15-18(31(3)4)7-10-22(24)29(21)20-8-5-16(13-19(20)28(36)38-29)27(35)39-32-25(33)11-12-26(32)34;1-30(2)17-6-9-20-23(14-17)37-24-15-18(31(3)4)7-10-21(24)29(20)22-13-16(5-8-19(22)28(36)38-29)27(35)39-32-25

Composition: C (66.03%), H (4.78%), N (7.97%), O (21.23%)

Molar Mass: 1055.066

Atom Count: 128

Heavy Atom Count: 78

Properties

Properties

Common Names	N/A
Aromatic Ring Count	6
Asymmetric Atom Count	0
Exact Mass	1054.338500314
Formal Charge	0
FSP3	0.24
Hetero Ring Count	6
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	UWQYEQKHQZYMMZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	143.93
Topological Polar Surface Area	105.69
Polarizability	53.39
Ring Count	12
Rotatable Bond Count	10

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	246256-50-8		$25.22-$310.21$25.22$55.48$206.80$310.21