[(2R,3S,4R,5R)-5-[6-(1-adamantylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-(1-adamantylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[6-(1-adamantylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[6-(1-adamantylamino)-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[6-(1-adamantylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[6-(1-adamantylamino)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C20H28N5O7P MolecularWeight: 481.439381

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4N=CN5C6C(C(C(O6)COP(=O)(O)O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC5=C4N=CN5[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)O)O)O

InChI

InChI=1S/C20H28N5O7P/c26-15-13(7-31-33(28,29)30)32-19(16(15)27)25-9-23-14-17(21-8-22-18(14)25)24-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,26-27H,1-7H2,(H,21,22,24)(H2,28,29,30)/t10?,11?,12?,13-,15-,16-,19-,20?/m1/s1