[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[1-[(3-carboxyoxy-1,2-dihexadecoxy-propyl)amino]oxyheptyl]-4-oxidanyl-oxolan-3-yl]oxyphosphonamidous acid

Systemtic Name: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[1-[(3-carboxyoxy-1,2-dihexadecoxy-propyl)amino]oxyheptyl]-4-oxidanyl-oxolan-3-yl]oxyphosphonamidous acid Openeye Name: [2-[1-[(3-carboxyoxy-1,2-dihexadecoxy-propyl)amino]oxyheptyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonamidous acid CAS Name: [2-[1-[(3-carboxyoxy-1,2-dihexadecoxypropyl)amino]oxyheptyl]-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-oxolanyl]oxyphosphonamidous acid IUPAC Name: [2-[1-[(3-carboxyoxy-1,2-dihexadecoxypropyl)amino]oxyheptyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxyphosphonamidous acid Traditional Name: [2-[1-[(3-carboxyoxy-1,2-dicetyloxy-propyl)amino]oxyheptyl]-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-3-yl]oxyphosphonamidous acid Formula: C51H97N4O12P MolecularWeight: 989.309241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COC(=O)O)C(NOC(CCCCCC)C1C(C(C(O1)N2C=CC(=O)NC2=O)O)OP(N)O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(COC(=O)O)C(NOC(CCCCCC)C1C(C(C(O1)N2C=CC(=O)NC2=O)O)OP(N)O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H97N4O12P/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-39-62-43(41-64-51(59)60)48(63-40-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2)54-66-42(36-33-12-9-6-3)46-47(67-68(52)61)45(57)49(65-46)55-38-37-44(56)53-50(55)58/h37-38,42-43,45-49,54,57,61H,4-36,39-41,52H2,1-3H3,(H,59,60)(H,53,56,58)