[[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] hydrogen phosphate Formula: C16H24N8O15P2 MolecularWeight: 630.353882

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=C(N2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C16H24N8O15P2/c17-12-6-13(20-3-19-12)24(16(21-6)22-23-18)14-10(29)8(27)5(36-14)2-35-40(31,32)39-41(33,34)38-15-11(30)9(28)7(26)4(1-25)37-15/h3-5,7-11,14-15,25-30H,1-2H2,(H,31,32)(H,33,34)(H2,17,19,20)/t4-,5-,7-,8-,9+,10-,11-,14-,15?/m1/s1