N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphonamidic acid

Systemtic Name: N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphonamidic acid Openeye Name: N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphonamidic acid CAS Name: N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy]phosphonamidic acid IUPAC Name: N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid Traditional Name: N-(1-adamantyl)-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphonamidic acid Formula: C20H29N6O6P MolecularWeight: 480.454621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O

InChI

InChI=1S/C20H29N6O6P/c21-17-14-18(23-8-22-17)26(9-24-14)19-16(28)15(27)13(32-19)7-31-33(29,30)25-20-4-10-1-11(5-20)3-12(2-10)6-20/h8-13,15-16,19,27-28H,1-7H2,(H2,21,22,23)(H2,25,29,30)/t10?,11?,12?,13-,15-,16-,19-,20?/m1/s1