[[(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,5S)-5-methyl-3,4-bis(oxidanyl)pyrrolidin-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,5S)-5-methyl-3,4-bis(oxidanyl)pyrrolidin-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,5S)-3,4-dihydroxy-5-methyl-pyrrolidin-2-yl]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,5S)-3,4-dihydroxy-5-methyl-2-pyrrolidinyl]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,5S)-3,4-dihydroxy-5-methylpyrrolidin-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,5S)-3,4-dihydroxy-5-methyl-pyrrolidin-2-yl]methyl hydrogen phosphate Formula: C16H26N6O13P2 MolecularWeight: 572.357562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1[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

InChI

InChI=1S/C16H26N6O13P2/c1-5-9(23)10(24)6(19-5)2-32-36(28,29)35-37(30,31)33-3-7-11(25)12(26)15(34-7)22-4-18-8-13(22)20-16(17)21-14(8)27/h4-7,9-12,15,19,23-26H,2-3H2,1H3,(H,28,29)(H,30,31)(H3,17,20,21,27)/t5-,6+,7+,9+,10+,11+,12+,15+/m0/s1