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

Systemtic Name: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl but-3-ynyl hydrogen phosphate Openeye Name: but-3-ynyl [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: but-3-ynyl [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: but-3-ynyl [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: but-3-ynyl [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C15H20N2O8P+ MolecularWeight: 387.301661

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCOP(=O)(O)OCC1C(C(C(O1)[N+]2=CC=CC(=C2)C(=O)N)O)O

Isomeric SMILES

C#CCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[N+]2=CC=CC(=C2)C(=O)N)O)O

InChI

InChI=1S/C15H19N2O8P/c1-2-3-7-23-26(21,22)24-9-11-12(18)13(19)15(25-11)17-6-4-5-10(8-17)14(16)20/h1,4-6,8,11-13,15,18-19H,3,7,9H2,(H2-,16,20,21,22)/p+1/t11-,12-,13-,15-/m1/s1