cobalt(3+) 8,13,18-tris(2-carbamoylethyl)-3,14,19-tris(carbamoylmethyl)-4-{2-[(2-{[5-(5,6-dimethyl-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),7(22),10,12(21),15,17(20)-hexaen-6-ide hydrochloride hydroxide

CAS: 59461-30-2

Formula: C62H90ClCoN13O15P

SMILES: [OH-].Cl.[Co+3].[H]C12N=C([C-](C)C3=NC(=CC4=NC(=C(C)C5=NC1(C)C(C)(CC(N)=O)C5CCC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(C)C3CCC(N)=O)C(C)(CCC(=O)NCC(C)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC3=CC(C)=C(C)C=C13)C2CC(N)=O

IUPAC: cobalt(3+) 8,13,18-tris(2-carbamoylethyl)-3,14,19-tris(carbamoylmethyl)-4-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),7(22),10,12(21),15,17(20)-hexaen-6-ide hydrochloride hydroxide

InChI: InChI=1/C62H89N13O14P.ClH.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);1H;;1H2/q-1;;+3;/p-2

Composition: C (53.85%), H (6.56%), Cl (2.56%), Co (4.26%), N (13.17%), O (17.35%), P (2.24%)

Molar Mass: 1382.83

Atom Count: 183

Heavy Atom Count: 93