N-[6-(6-azanylhexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxy-phosphonamidic acid

Systemtic Name: N-[6-(6-azanylhexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxy-phosphonamidic acid Openeye Name: N-[6-(6-aminohexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxy-phosphonamidic acid CAS Name: N-[6-(6-aminohexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxyphosphonamidic acid IUPAC Name: N-[6-(6-aminohexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxyphosphonamidic acid Traditional Name: N-[6-(6-aminohexylamino)hexyl]-N-diphosphonooxyphosphoryl-phosphonooxy-phosphonamidic acid Formula: C12H34N3O15P5 MolecularWeight: 615.278265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCCNCCCCCCN(P(=O)(O)OP(=O)(O)O)P(=O)(OP(=O)(O)O)OP(=O)(O)O)CCN

Isomeric SMILES

C(CCCNCCCCCCN(P(=O)(O)OP(=O)(O)O)P(=O)(OP(=O)(O)O)OP(=O)(O)O)CCN

InChI

InChI=1S/C12H34N3O15P5/c13-9-5-1-2-6-10-14-11-7-3-4-8-12-15(31(16,17)28-33(19,20)21)32(18,29-34(22,23)24)30-35(25,26)27/h14H,1-13H2,(H,16,17)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)