[1-azanyl-3-[azanyl(diphosphono)methyl]-5-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [1-azanyl-3-[azanyl(diphosphono)methyl]-5-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-amino-3-[amino(diphosphono)methyl]-5-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [1-amino-3-[amino(diphosphono)methyl]-5-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-amino-3-[amino(diphosphono)methyl]-5-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [1-amino-3-[amino(diphosphono)methyl]-5-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C6H20N2O13P4 MolecularWeight: 452.123644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(CC(N)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CO)C(CC(N)(P(=O)(O)O)P(=O)(O)O)C(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H20N2O13P4/c7-5(22(10,11)12,23(13,14)15)3-4(1-2-9)6(8,24(16,17)18)25(19,20)21/h4,9H,1-3,7-8H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)