[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl]oxyethyl]phosphinic acid

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]oxy-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenoxy-oxan-3-yl]oxyethyl]phosphinic acid Openeye Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-tetrahydropyran-3-yl]oxyethyl]phosphinic acid CAS Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-[2-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxy-3-oxanyl]oxy]ethyl]phosphinic acid IUPAC Name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-[2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]oxyethyl]phosphinic acid Traditional Name: [[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methylol-2-phenoxy-tetrahydropyran-3-yl]oxyethyl]phosphinic acid Formula: C24H33N5O16P2 MolecularWeight: 709.490242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)OCCP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)OCCP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O

InChI

InChI=1S/C24H33N5O16P2/c25-24-27-20-14(21(35)28-24)26-10-29(20)22-18(34)16(32)13(43-22)9-41-47(38,39)45-46(36,37)7-6-40-19-17(33)15(31)12(8-30)44-23(19)42-11-4-2-1-3-5-11/h1-5,10,12-13,15-19,22-23,30-34H,6-9H2,(H,36,37)(H,38,39)(H3,25,27,28,35)/t12-,13-,15+,16-,17+,18-,19-,22-,23-/m1/s1