2-azaniumylpropanoyl [3-[2,3-bis(oxidanyl)propoxy-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] phosphate

Systemtic Name: 2-azaniumylpropanoyl [3-[2,3-bis(oxidanyl)propoxy-oxidanidyl-phosphoryl]oxy-2-oxidanyl-propyl] phosphate Openeye Name: 2-azaniumylpropanoyl [3-[2,3-dihydroxypropoxy(oxido)phosphoryl]oxy-2-hydroxy-propyl] phosphate CAS Name: [3-[(2-ammonio-1-oxopropoxy)-oxidophosphoryl]oxy-2-hydroxypropyl] 2,3-dihydroxypropyl phosphate IUPAC Name: 2-azaniumylpropanoyl [3-[2,3-dihydroxypropoxy(oxido)phosphoryl]oxy-2-hydroxypropyl] phosphate Traditional Name: 2-ammoniopropanoyl [3-[glyceryloxy(oxido)phosphoryl]oxy-2-hydroxy-propyl] phosphate Formula: C9H20NO12P2- MolecularWeight: 396.202122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)[NH3+]

Isomeric SMILES

CC(C(=O)OP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)[NH3+]

InChI

InChI=1S/C9H21NO12P2/c1-6(10)9(14)22-24(17,18)21-5-8(13)4-20-23(15,16)19-3-7(12)2-11/h6-8,11-13H,2-5,10H2,1H3,(H,15,16)(H,17,18)/p-1