[[2-azanyl-4-oxidanylidene-6,7-bis(sulfanidyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanidyl-phosphoryl] [(3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate; molybdenum(4+)

Systemtic Name: [[2-azanyl-4-oxidanylidene-6,7-bis(sulfanidyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanidyl-phosphoryl] [(3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate; molybdenum(4+) Openeye Name: [(2-amino-4-oxo-6,7-disulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methoxy-oxido-phosphoryl] [(3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate; molybdenum(4+) CAS Name: [(2-amino-4-oxo-6,7-disulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methoxy-oxidophosphoryl] [(3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate; molybdenum(4+) IUPAC Name: [(2-amino-4-oxo-6,7-disulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methoxy-oxidophosphoryl] [(3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate; molybdenum(4+) Traditional Name: [(2-amino-4-keto-6,7-disulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methoxy-oxido-phosphoryl] [(3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate; molybdenum(4+) Formula: C40H44MoN20O26P4S4-4 MolecularWeight: 1568.990804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)N=C(N6)N)[S-])[S-])O)O)NC(=NC2=O)N.C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)N=C(N6)N)[S-])[S-])O)O)NC(=NC2=O)N.[Mo+4]

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H](C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)N=C(N6)N)[S-])[S-])O)O)NC(=NC2=O)N.C1=NC2=C(N1[C@H]3[C@@H]([C@@H](C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)N=C(N6)N)[S-])[S-])O)O)NC(=NC2=O)N.[Mo+4]

InChI

InChI=1S/2C20H26N10O13P2S2.Mo/c2*21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;/h2*3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);/q;;+4/p-8/t2*4?,5?,6?,9-,10-,17?,18-;/m11./s1