1-azanyl-2-[(2-azanyl-2-oxidanyl-propyl)amino]propan-2-ol; phosphonomethylphosphonic acid

Systemtic Name: 1-azanyl-2-[(2-azanyl-2-oxidanyl-propyl)amino]propan-2-ol; phosphonomethylphosphonic acid Openeye Name: 1-amino-2-[(2-amino-2-hydroxy-propyl)amino]propan-2-ol; phosphonomethylphosphonic acid CAS Name: 1-amino-2-[(2-amino-2-hydroxypropyl)amino]-2-propanol; phosphonomethylphosphonic acid IUPAC Name: 1-amino-2-[(2-amino-2-hydroxypropyl)amino]propan-2-ol; phosphonomethylphosphonic acid Traditional Name: 1-amino-2-[(2-amino-2-hydroxy-propyl)amino]propan-2-ol; phosphonomethylphosphonic acid Formula: C11H47N3O32P10 MolecularWeight: 1043.22939

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)(NCC(C)(N)O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(CN)(NCC(C)(N)O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O.C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H17N3O2.5CH6O6P2/c1-5(8,10)4-9-6(2,11)3-7;5*2-8(3,4)1-9(5,6)7/h9-11H,3-4,7-8H2,1-2H3;5*1H2,(H2,2,3,4)(H2,5,6,7)