2-[(3-azanyl-2-oxidanyl-propyl)amino]ethylsulfanylphosphonic acid trihydrate

Systemtic Name: 2-[(3-azanyl-2-oxidanyl-propyl)amino]ethylsulfanylphosphonic acid trihydrate Openeye Name: 2-[(3-amino-2-hydroxy-propyl)amino]ethylsulfanylphosphonic acid trihydrate CAS Name: [2-[(3-amino-2-hydroxypropyl)amino]ethylthio]phosphonic acid trihydrate IUPAC Name: 2-[(3-amino-2-hydroxypropyl)amino]ethylsulfanylphosphonic acid trihydrate Traditional Name: [2-[(3-amino-2-hydroxy-propyl)amino]ethylthio]phosphonic acid trihydrate Formula: C10H36N4O11P2S2 MolecularWeight: 514.490562

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Descriptors Computed from Structure

Canonical SMILES:

C(CSP(=O)(O)O)NCC(CN)O.C(CSP(=O)(O)O)NCC(CN)O.O.O.O

Isomeric SMILES

C(CSP(=O)(O)O)NCC(CN)O.C(CSP(=O)(O)O)NCC(CN)O.O.O.O

InChI

InChI=1S/2C5H15N2O4PS.3H2O/c2*6-3-5(8)4-7-1-2-13-12(9,10)11;;;/h2*5,7-8H,1-4,6H2,(H2,9,10,11);3*1H2