[[(2S,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyperoxy-oxidanyl-phosphoryl]peroxy [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-thiolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [[(2S,3R,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxyperoxy-oxidanyl-phosphoryl]peroxy [(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-thiolan-2-yl]methyl hydrogen phosphate Openeye Name: [[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl]peroxy [(2S,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylperoxy hydrogen phosphate CAS Name: [[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-2-thiolanyl]methoxy-hydroxyphosphoryl]dioxy [(2S,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-2-oxolanyl]methyldioxy hydrogen phosphate IUPAC Name: [[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxythiolan-2-yl]methoxy-hydroxyphosphoryl]peroxy [(2S,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methylperoxy hydrogen phosphate Traditional Name: [[(2S,3S,5R)-5-adenin-9-yl-3-hydroxy-4-phosphonooxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl]peroxy [(2S,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylperoxy hydrogen phosphate Formula: C21H30N7O20P3S MolecularWeight: 825.484083

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COOOP(=O)(O)OOOP(=O)(O)OCC3C(C(C(S3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

Isomeric SMILES

C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@H]([C@@H](O2)COOOP(=O)(O)OOOP(=O)(O)OC[C@H]3[C@H](C([C@@H](S3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C21H30N7O20P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-49(33,34)35)14(30)11(52-21)6-41-50(36,37)47-45-48-51(38,39)46-44-40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14+,15+,16?,20+,21+/m0/s1