[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-[2-(2-methoxyphenoxy)ethoxy]ethyl hydrogen phosphate Formula: C22H30N2O11P+ MolecularWeight: 529.454161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCOCCOP(=O)(O)OCC2C(C(C(O2)[N+]3=CC=CC(=C3)C(=O)N)O)O

Isomeric SMILES

COC1=CC=CC=C1OCCOCCOP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[N+]3=CC=CC(=C3)C(=O)N)O)O

InChI

InChI=1S/C22H29N2O11P/c1-30-16-6-2-3-7-17(16)32-11-9-31-10-12-33-36(28,29)34-14-18-19(25)20(26)22(35-18)24-8-4-5-15(13-24)21(23)27/h2-8,13,18-20,22,25-26H,9-12,14H2,1H3,(H2-,23,27,28,29)/p+1/t18-,19-,20-,22-/m1/s1