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

Systemtic Name: [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]boron(1-) Openeye Name: [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]boron(1-) CAS Name: [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]boron(1-) IUPAC Name: [[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]boron(1-) Traditional Name: [[(3aR,4R,6R,6aR)-4-adenin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]boron(1-) Formula: C13H19BN5O12P3- MolecularWeight: 541.048543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BN5O12P3/c1-13(2)28-8-6(3-26-32(14,20)30-34(24,25)31-33(21,22)23)27-12(9(8)29-13)19-5-18-7-10(15)16-4-17-11(7)19/h4-6,8-9,12H,3H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/q-1/t6-,8-,9-,12-,32?/m1/s1