[(3aS,4S,6R,6aR)-4-(3-aminocarbonylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[[[(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-phosphoryl]methyl]phosphinic acid

Systemtic Name: [(3aS,4S,6R,6aR)-4-(3-aminocarbonylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-[[[(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-phosphoryl]methyl]phosphinic acid 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-[[[(3aS,4S,6R,6aR)-4-(3-carbamoylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid 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-[[[(3aS,4S,6R,6aR)-4-(3-carbamoylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]methyl]phosphinic acid 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-[[[(3aS,4S,6R,6aR)-4-(3-carbamoylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]methyl]phosphinic acid 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-[[[(3aS,4S,6R,6aR)-4-(3-carbamoylphenyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl]methyl]phosphinic acid Formula: C29H38N6O13P2 MolecularWeight: 740.591942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)C3=CC=CC(=C3)C(=O)N)COP(=O)(CP(=O)(O)OCC4C5C(C(O4)N6C=NC7=C6N=CN=C7N)OC(O5)(C)C)O)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)C3=CC=CC(=C3)C(=O)N)COP(=O)(CP(=O)(O)OC[C@@H]4[C@@H]5[C@H]([C@@H](O4)N6C=NC7=C6N=CN=C7N)OC(O5)(C)C)O)C

InChI

InChI=1S/C29H38N6O13P2/c1-28(2)45-20-16(43-19(22(20)47-28)14-6-5-7-15(8-14)25(31)36)9-41-49(37,38)13-50(39,40)42-10-17-21-23(48-29(3,4)46-21)27(44-17)35-12-34-18-24(30)32-11-33-26(18)35/h5-8,11-12,16-17,19-23,27H,9-10,13H2,1-4H3,(H2,31,36)(H,37,38)(H,39,40)(H2,30,32,33)/t16-,17-,19+,20-,21-,22+,23-,27-/m1/s1