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[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-pyridin-1-ium-1-yl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-pyridin-1-ium-1-yl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name:[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-pyridin-1-ium-1-yl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Openeye Name:[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yl-tetrahydrofuran-2-yl]methyl hydrogen phosphate
CAS Name:[[(2R,3S,4R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(1-pyridin-1-iumyl)-2-oxolanyl]methyl hydrogen phosphate
IUPAC Name:[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yloxolan-2-yl]methyl hydrogen phosphate
Traditional Name:[[(2R,3S,4R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-pyridin-1-ium-1-yl-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Formula: C22H27N6O13P2+
MolecularWeight: 645.429702
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O


Isomeric SMILES

C1=CC=[N+](C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H](C(O3)N4C=NC5=C4N=CN6C5=NC=C6)O)O)O)O


InChI

InChI=1S/C22H26N6O13P2/c29-15-12(39-21(17(15)31)26-5-2-1-3-6-26)8-37-42(33,34)41-43(35,36)38-9-13-16(30)18(32)22(40-13)28-11-24-14-19-23-4-7-27(19)10-25-20(14)28/h1-7,10-13,15-18,21-22,29-32H,8-9H2,(H-,33,34,35,36)/p+1/t12-,13-,15-,16-,17-,18-,21-,22?/m1/s1


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