gallium(3+) 2-[4,7-bis(carboxylatomethyl)-10-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecan-1-yl]acetate

CAS: 138071-82-6

Formula: C18H31GaN4O9

SMILES: [Ga+3].OC[C@@H](O)[C@@H](CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1

IUPAC: gallium(3+) 2-[4,7-bis(carboxylatomethyl)-10-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecan-1-yl]acetate

InChI: InChI=1S/C18H34N4O9.Ga/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/m1./s1

Composition: C (41.80%), H (6.04%), Ga (13.48%), N (10.83%), O (27.84%)

Molar Mass: 517.188

Atom Count: 63

Heavy Atom Count: 32