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

Systemtic Name: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl prop-2-ynyl hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl prop-2-ynyl hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl prop-2-ynyl hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl prop-2-ynyl hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl propargyl hydrogen phosphate Formula: C14H18N2O8P+ MolecularWeight: 373.275081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#CCOP(=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/C14H17N2O8P/c1-2-6-22-25(20,21)23-8-10-11(17)12(18)14(24-10)16-5-3-4-9(7-16)13(15)19/h1,3-5,7,10-12,14,17-18H,6,8H2,(H2-,15,19,20,21)/p+1/t10-,11-,12-,14-/m1/s1