[(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5S)-5-[[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5S)-5-[(2R,3R,4R,5R)-2-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C15H22N5O12P MolecularWeight: 495.335241

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)OC4C(C(C(O4)COP(=O)(O)O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C15H22N5O12P/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-10(8(23)4(1-21)30-13)32-14-9(24)7(22)5(31-14)2-29-33(26,27)28/h3-5,7-10,13-14,21-24H,1-2H2,(H2,26,27,28)(H3,16,18,19,25)/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1