3-azaniumylpropyl [6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] phosphate

Systemtic Name: 3-azaniumylpropyl [6-(hydroxymethyl)-4-oxidanylidene-pyran-3-yl] phosphate Openeye Name: 3-azaniumylpropyl [6-(hydroxymethyl)-4-oxo-pyran-3-yl] phosphate CAS Name: 3-ammoniopropyl [6-(hydroxymethyl)-4-oxo-3-pyranyl] phosphate IUPAC Name: 3-azaniumylpropyl [6-(hydroxymethyl)-4-oxopyran-3-yl] phosphate Traditional Name: 3-ammoniopropyl (4-keto-6-methylol-pyran-3-yl) phosphate Formula: C9H14NO7P MolecularWeight: 279.183721

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)OP(=O)([O-])OCCC[NH3+])CO

Isomeric SMILES

C1=C(OC=C(C1=O)OP(=O)([O-])OCCC[NH3+])CO

InChI

InChI=1S/C9H14NO7P/c10-2-1-3-16-18(13,14)17-9-6-15-7(5-11)4-8(9)12/h4,6,11H,1-3,5,10H2,(H,13,14)