lithium trisodium [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: lithium trisodium [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: lithium trisodium [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate CAS Name: lithium trisodium [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate IUPAC Name: lithium trisodium [[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(2,4,6-trinitrophenoxy)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Traditional Name: lithium trisodium [[[(2R,3R,4R,5R)-5-adenin-9-yl-3,4-bis(2,4,6-trinitrophenoxy)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C22H14LiN11Na3O25P3 MolecularWeight: 1001.236853

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].C1=C(C=C(C(=C1[N+](=O)[O-])OC2C(OC(C2OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N4C=NC5=C4N=CN=C5N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

[Li+].C1=C(C=C(C(=C1[N+](=O)[O-])O[C@@H]2[C@H](O[C@H]([C@@H]2OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N4C=NC5=C4N=CN=C5N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H18N11O25P3.Li.3Na/c23-20-15-21(25-6-24-20)27(7-26-15)22-19(56-17-12(32(42)43)3-9(29(36)37)4-13(17)33(44)45)18(14(54-22)5-53-60(49,50)58-61(51,52)57-59(46,47)48)55-16-10(30(38)39)1-8(28(34)35)2-11(16)31(40)41;;;;/h1-4,6-7,14,18-19,22H,5H2,(H,49,50)(H,51,52)(H2,23,24,25)(H2,46,47,48);;;;/q;4*+1/p-4/t14-,18-,19-,22-;;;;/m1..../s1