2-azaniumyl-4-[3,4-bis(oxidanyl)butoxy-oxidanidyl-phosphoryl]oxy-butanoate

Systemtic Name: 2-azaniumyl-4-[3,4-bis(oxidanyl)butoxy-oxidanidyl-phosphoryl]oxy-butanoate Openeye Name: 2-azaniumyl-4-[3,4-dihydroxybutoxy(oxido)phosphoryl]oxy-butanoate CAS Name: 2-ammonio-4-[3,4-dihydroxybutoxy(oxido)phosphoryl]oxybutanoate IUPAC Name: 2-azaniumyl-4-[3,4-dihydroxybutoxy(oxido)phosphoryl]oxybutanoate Traditional Name: 2-ammonio-4-[3,4-dihydroxybutoxy(oxido)phosphoryl]oxy-butyrate Formula: C8H17NO8P- MolecularWeight: 286.196241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(COP(=O)([O-])OCCC(C(=O)[O-])[NH3+])C(CO)O

Isomeric SMILES

C(COP(=O)([O-])OCCC(C(=O)[O-])[NH3+])C(CO)O

InChI

InChI=1S/C8H18NO8P/c9-7(8(12)13)2-4-17-18(14,15)16-3-1-6(11)5-10/h6-7,10-11H,1-5,9H2,(H,12,13)(H,14,15)/p-1