[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)piperidin-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)piperidin-2-yl]methyl hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidyl]methyl hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidinyl]methyl hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-piperidyl]methyl hydrogen phosphate Formula: C17H28N6O14P2 MolecularWeight: 602.383542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(N1)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O

InChI

InChI=1S/C17H28N6O14P2/c1-5-9(24)12(27)10(25)6(20-5)2-34-38(30,31)37-39(32,33)35-3-7-11(26)13(28)16(36-7)23-4-19-8-14(23)21-17(18)22-15(8)29/h4-7,9-13,16,20,24-28H,2-3H2,1H3,(H,30,31)(H,32,33)(H3,18,21,22,29)/t5-,6+,7+,9+,10+,11+,12+,13+,16+/m0/s1