tetrasodium [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphoryl]boron(1-)

Systemtic Name: tetrasodium [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxidanidyl(phosphonatooxy)phosphoryl]oxy-phosphoryl]boron(1-) Openeye Name: tetrasodium [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxido(phosphonatooxy)phosphoryl]oxy-phosphoryl]boron(1-) CAS Name: tetrasodium [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]boron(1-) IUPAC Name: tetrasodium [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]boron(1-) Traditional Name: tetrasodium [[(3aR,4R,6R,6aR)-4-adenin-9-yl-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxido(phosphato)phosphoryl]oxy-phosphoryl]boron(1-) Formula: C12H14BN5Na4O13P3 MolecularWeight: 631.956623

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Descriptors Computed from Structure

Canonical SMILES:

[B-]P(=O)(OCC1C2C(C(O1)N3C=NC4=C3N=CN=C4N)OC(O2)OC)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

[B-]P(=O)(OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4N)OC(O2)OC)OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H17BN5O13P3.4Na/c1-25-12-28-7-5(2-26-32(13,19)30-34(23,24)31-33(20,21)22)27-11(8(7)29-12)18-4-17-6-9(14)15-3-16-10(6)18;;;;/h3-5,7-8,11-12H,2H2,1H3,(H,23,24)(H2,14,15,16)(H2,20,21,22);;;;/q-1;4*+1/p-3/t5-,7-,8-,11-,12?,32?;;;;/m1..../s1