6-[2,6,8-tris(oxidanylidene)-9-[(2R,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate

Systemtic Name: 6-[2,6,8-tris(oxidanylidene)-9-[(2R,3S,4R)-2,3,4,5-tetrakis(oxidanyl)pentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate Openeye Name: 6-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate CAS Name: 6-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate IUPAC Name: 6-[2,6,8-trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate Traditional Name: 6-[2,6,8-triketo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]hexyl dihydrogen phosphate Formula: C16H27N4O11P MolecularWeight: 482.379541

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O

Isomeric SMILES

C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1