[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-oxidanyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-oxidanyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-hydroxy-2,4-dioxo-imidazolidin-1-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate CAS Name: [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-5-(5-hydroxy-2,4-dioxo-1-imidazolidinyl)-2-oxolanyl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name: [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-hydroxy-2,4-dioxoimidazolidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate Traditional Name: [(2R,3S,5R)-5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(5-hydroxy-2,4-diketo-imidazolidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C27H36N10O17P2 MolecularWeight: 834.579062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4CO)N5C=NC6=C5N=CN=C6N)N7C(C(=O)NC7=O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5N=CN=C6N)N7C(C(=O)NC7=O)O)O

InChI

InChI=1S/C27H36N10O17P2/c28-17-1-2-35(26(42)33-17)18-3-11(39)15(51-18)7-48-55(44,45)54-13-5-20(37-25(41)24(40)34-27(37)43)52-16(13)8-49-56(46,47)53-12-4-19(50-14(12)6-38)36-10-32-21-22(29)30-9-31-23(21)36/h1-2,9-16,18-20,25,38-39,41H,3-8H2,(H,44,45)(H,46,47)(H2,28,33,42)(H2,29,30,31)(H,34,40,43)/t11-,12-,13-,14+,15+,16+,18+,19+,20+,25?/m0/s1