[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(1-benzimidazolyl)-3,4-dihydroxy-2-oxolanyl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methoxy]phosphoryl] hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-(benzimidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate Formula: C23H28N4O14P2 MolecularWeight: 646.434342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3C(C(C(O3)COP(=O)(OCC4C(C(C(O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)OP(=O)(O)[O-])O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)OP(=O)(O)[O-])O)O

InChI

InChI=1S/C23H28N4O14P2/c24-21(32)12-4-3-7-26(8-12)22-19(30)17(28)15(39-22)9-37-43(36,41-42(33,34)35)38-10-16-18(29)20(31)23(40-16)27-11-25-13-5-1-2-6-14(13)27/h1-8,11,15-20,22-23,28-31H,9-10H2,(H3-,24,32,33,34,35)/t15-,16-,17-,18-,19-,20-,22-,23-,43?/m1/s1