[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate; (E)-but-2-enedioic acid

Systemtic Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate; (E)-but-2-enedioic acid Openeye Name: [[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,2-dimethylpropanoic acid [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate; (E)-but-2-enedioic acid Traditional Name: 2,2-dimethylpropionic acid [[(1R)-2-adenin-9-yl-1-methyl-ethoxy]methyl-(pivaloyloxymethoxy)phosphoryl]oxymethyl ester; fumaric acid Formula: C25H38N5O12P MolecularWeight: 631.569281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H34N5O8P.C4H4O4/c1-14(8-26-10-25-15-16(22)23-9-24-17(15)26)32-13-35(29,33-11-30-18(27)20(2,3)4)34-12-31-19(28)21(5,6)7;5-3(6)1-2-4(7)8/h9-10,14H,8,11-13H2,1-7H3,(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1