5-acetamido-2,4-bis(oxidanyl)-5-phosphono-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: 5-acetamido-2,4-bis(oxidanyl)-5-phosphono-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: 5-acetamido-2,4-dihydroxy-5-phosphono-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylate CAS Name: 5-acetamido-2,4-dihydroxy-5-phosphono-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylate IUPAC Name: 5-acetamido-2,4-dihydroxy-5-phosphono-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate Traditional Name: 5-acetamido-2,4-dihydroxy-5-phosphono-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylate Formula: C11H19NO12P- MolecularWeight: 388.241821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(CC(OC1C(C(CO)O)O)(C(=O)[O-])O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1(C(CC(OC1C(C(CO)O)O)(C(=O)[O-])O)O)P(=O)(O)O

InChI

InChI=1S/C11H20NO12P/c1-4(14)12-11(25(21,22)23)6(16)2-10(20,9(18)19)24-8(11)7(17)5(15)3-13/h5-8,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)(H2,21,22,23)/p-1