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europium(3+) sodium 2-({[6-(4-{4'-amino-[1,1'-biphenyl]-4-yl}-6'-{[bis(carboxylatomethyl)amino]methyl}-[2,2'-bipyridin]-6-yl)pyridin-2-yl]methyl}(carboxylatomethyl)amino)acetate

europium(3+) sodium 2-({[6-(4-{4'-amino-[1,1'-biphenyl]-4-yl}-6'-{[bis(carboxylatomethyl)amino]methyl}-[2,2'-bipyridin]-6-yl)pyridin-2-yl]methyl}(carboxylatomethyl)amino)acetate

CAS: 601494-52-4

Formula: C37H30EuN6NaO8

SMILES: [Na+].[Eu+3].NC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=NC(=C1)C1=CC=CC(CN(CC([O-])=O)CC([O-])=O)=N1)C1=CC=CC(CN(CC([O-])=O)CC([O-])=O)=N1

IUPAC: europium(3+) sodium 2-({[6-(4-{4'-amino-[1,1'-biphenyl]-4-yl}-6'-{[bis(carboxylatomethyl)amino]methyl}-[2,2'-bipyridin]-6-yl)pyridin-2-yl]methyl}(carboxylatomethyl)amino)acetate

InChI: InChI=1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-

Composition: C (51.58%), H (3.51%), Eu (17.64%), N (9.75%), Na (2.67%), O (14.85%)

Molar Mass: 861.635

Atom Count: 83

Heavy Atom Count: 53

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 862.12352
Formal Charge 0
FSP3 0.16
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 14
Hydrogen Bond Donor Count 1
InChIKey WPJHPWPASHGOEZ-UHFFFAOYSA-J
Lipinski's Rule of Five
Molar Refractivity 227.07
Topological Polar Surface Area 231.69
Polarizability 75.64
Ring Count 5
Rotatable Bond Count 16

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