[(2R,3S,4R,5R)-5-[2,6-bis(oxidanylidene)-7H-purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid

Systemtic Name: [(2R,3S,4R,5R)-5-[2,6-bis(oxidanylidene)-7H-purin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid Openeye Name: [(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid CAS Name: [(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid IUPAC Name: [(2R,3S,4R,5R)-5-(2,6-dioxo-7H-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid Traditional Name: [(2R,3S,4R,5R)-5-(2,6-diketo-7H-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid Formula: C14H17N6O8P MolecularWeight: 428.293941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1P(=O)(O)OCC2C(C(C(O2)N3C4=C(C(=O)NC3=O)NC=N4)O)O

Isomeric SMILES

CC1=NC=CN1P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC3=O)NC=N4)O)O

InChI

InChI=1S/C14H17N6O8P/c1-6-15-2-3-19(6)29(25,26)27-4-7-9(21)10(22)13(28-7)20-11-8(16-5-17-11)12(23)18-14(20)24/h2-3,5,7,9-10,13,21-22H,4H2,1H3,(H,16,17)(H,25,26)(H,18,23,24)/t7-,9-,10-,13-/m1/s1