[(2S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]ammonium Formula: C16H22N8O8P+ MolecularWeight: 485.368441

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)[NH3+]

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)[NH3+]

InChI

InChI=1S/C16H21N8O8P/c17-8(1-7-2-19-4-20-7)16(27)32-33(28,29)30-3-9-11(25)12(26)15(31-9)24-6-23-10-13(18)21-5-22-14(10)24/h2,4-6,8-9,11-12,15,25-26H,1,3,17H2,(H,19,20)(H,28,29)(H2,18,21,22)/p+1/t8-,9+,11+,12+,15+/m0/s1