[2-(4-azanylbutyl)-4,7-bis[[methyl(oxidanyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methyl-phosphinic acid

Systemtic Name: [2-(4-azanylbutyl)-4,7-bis[[methyl(oxidanyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methyl-phosphinic acid Openeye Name: [2-(4-aminobutyl)-4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methyl-phosphinic acid CAS Name: [2-(4-aminobutyl)-4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methylphosphinic acid IUPAC Name: [2-(4-aminobutyl)-4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methylphosphinic acid Traditional Name: [2-(4-aminobutyl)-4,7-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-methyl-phosphinic acid Formula: C16H39N4O6P3 MolecularWeight: 476.425343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(CN1CCN(CC(N(CC1)CP(=O)(C)O)CCCCN)CP(=O)(C)O)O

Isomeric SMILES

CP(=O)(CN1CCN(CC(N(CC1)CP(=O)(C)O)CCCCN)CP(=O)(C)O)O

InChI

InChI=1S/C16H39N4O6P3/c1-27(21,22)13-18-8-9-19(14-28(2,23)24)12-16(6-4-5-7-17)20(11-10-18)15-29(3,25)26/h16H,4-15,17H2,1-3H3,(H,21,22)(H,23,24)(H,25,26)