[4-[1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-3-methoxy-3-oxidanylidene-propoxy]phosphoryl]oxy-3-methoxy-3-oxidanylidene-propyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [4-[1-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethoxy-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-3-methoxy-3-oxidanylidene-propoxy]phosphoryl]oxy-3-methoxy-3-oxidanylidene-propyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [4-[1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-3-methoxy-3-oxo-propoxy]phosphoryl]oxy-3-methoxy-3-oxo-propyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-[1-[4-(2,2-dimethyl-1-oxopropoxy)phenyl]-3-methoxy-3-oxopropoxy]phosphoryl]oxy-3-methoxy-3-oxopropyl]phenyl] ester IUPAC Name: [4-[1-[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-3-methoxy-3-oxopropoxy]phosphoryl]oxy-3-methoxy-3-oxopropyl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[1-[2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethoxy-[3-keto-3-methoxy-1-(4-pivaloyloxyphenyl)propoxy]phosphoryl]oxy-3-keto-3-methoxy-propyl]phenyl] ester Formula: C38H48N5O14P MolecularWeight: 829.786581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)C(CC(=O)OC)OP(=O)(OCCOCN2C=NC3=C2NC(=NC3=O)N)OC(CC(=O)OC)C4=CC=C(C=C4)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)C(CC(=O)OC)OP(=O)(OCCOCN2C=NC3=C2NC(=NC3=O)N)OC(CC(=O)OC)C4=CC=C(C=C4)OC(=O)C(C)(C)C

InChI

InChI=1S/C38H48N5O14P/c1-37(2,3)34(47)54-25-13-9-23(10-14-25)27(19-29(44)50-7)56-58(49,53-18-17-52-22-43-21-40-31-32(43)41-36(39)42-33(31)46)57-28(20-30(45)51-8)24-11-15-26(16-12-24)55-35(48)38(4,5)6/h9-16,21,27-28H,17-20,22H2,1-8H3,(H3,39,41,42,46)