2-(morpholin-4-ylamino)ethanol; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid

Systemtic Name: 2-(morpholin-4-ylamino)ethanol; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid Openeye Name: [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid; 2-(morpholinoamino)ethanol CAS Name: [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid; 2-(4-morpholinylamino)ethanol IUPAC Name: (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid; 2-(morpholin-4-ylamino)ethanol Traditional Name: [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid; 2-(morpholinoamino)ethanol Formula: C13H25N3O9P2 MolecularWeight: 429.299822

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NCCO.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1COCCN1NCCO.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11NO7P2.C6H14N2O2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;9-4-1-7-8-2-5-10-6-3-8/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);7,9H,1-6H2