[9-[(2R,3R,4S,5S)-5-(hydroxymethyl)-4-[[(2S)-3-(4-methoxyphenyl)-2-(phosphonoamino)propanoyl]amino]-3-oxidanyl-oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylidene-azanium

Systemtic Name: [9-[(2R,3R,4S,5S)-5-(hydroxymethyl)-4-[[(2S)-3-(4-methoxyphenyl)-2-(phosphonoamino)propanoyl]amino]-3-oxidanyl-oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylidene-azanium Openeye Name: [9-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[[(2S)-3-(4-methoxyphenyl)-2-(phosphonoamino)propanoyl]amino]tetrahydrofuran-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylene-ammonium CAS Name: [9-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[[(2S)-3-(4-methoxyphenyl)-1-oxo-2-(phosphonoamino)propyl]amino]-2-oxolanyl]-2H-purin-9-ium-6-yl]-methyl-methyleneammonium IUPAC Name: [9-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-[[(2S)-3-(4-methoxyphenyl)-2-(phosphonoamino)propanoyl]amino]oxolan-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylideneazanium Traditional Name: [9-[(2R,3R,4S,5S)-3-hydroxy-4-[[(2S)-3-(4-methoxyphenyl)-2-(phosphonoamino)propanoyl]amino]-5-methylol-tetrahydrofuran-2-yl]-2H-purin-9-ium-6-yl]-methyl-methylene-ammonium Formula: C22H30N7O8P+2 MolecularWeight: 551.489461

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C)C1=NCN=C2C1=NC=[N+]2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)NP(=O)(O)O)O

Isomeric SMILES

C[N+](=C)C1=NCN=C2C1=NC=[N+]2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)NP(=O)(O)O)O

InChI

InChI=1S/C22H28N7O8P/c1-28(2)19-17-20(24-10-23-19)29(11-25-17)22-18(31)16(15(9-30)37-22)26-21(32)14(27-38(33,34)35)8-12-4-6-13(36-3)7-5-12/h4-7,11,14-16,18,22,30-31H,1,8-10H2,2-3H3,(H2-2,26,27,32,33,34,35)/p+2/t14-,15+,16+,18+,22+/m0/s1