calcium 2-azanyl-3-[1,3-bis(oxidanyl)propan-2-yloxy-oxidanidyl-phosphoryl]oxy-propanoate

Systemtic Name: calcium 2-azanyl-3-[1,3-bis(oxidanyl)propan-2-yloxy-oxidanidyl-phosphoryl]oxy-propanoate Openeye Name: calcium 2-amino-3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]-oxido-phosphoryl]oxy-propanoate CAS Name: calcium 2-amino-3-[1,3-dihydroxypropan-2-yloxy(oxido)phosphoryl]oxypropanoate IUPAC Name: calcium 2-amino-3-[1,3-dihydroxypropan-2-yloxy(oxido)phosphoryl]oxypropanoate Traditional Name: calcium 2-amino-3-[(2-hydroxy-1-methylol-ethoxy)-oxido-phosphoryl]oxy-propionate Formula: C6H12CaNO8P MolecularWeight: 297.213141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OP(=O)([O-])OCC(C(=O)[O-])N)O.[Ca+2]

Isomeric SMILES

C(C(CO)OP(=O)([O-])OCC(C(=O)[O-])N)O.[Ca+2]

InChI

InChI=1S/C6H14NO8P.Ca/c7-5(6(10)11)3-14-16(12,13)15-4(1-8)2-9;/h4-5,8-9H,1-3,7H2,(H,10,11)(H,12,13);/q;+2/p-2