sodium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate

Systemtic Name: sodium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate Openeye Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate CAS Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl [2-ethoxy-3-(1-oxooctadecylamino)propyl] phosphate IUPAC Name: sodium [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [2-ethoxy-3-(octadecanoylamino)propyl] phosphate Traditional Name: sodium [3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2-ethoxy-3-stearamido-propyl) phosphate Formula: C33H58N6NaO9P MolecularWeight: 736.811951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OCC.[Na+]

InChI

InChI=1S/C33H59N6O9P.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(40)35-22-27(45-5-2)24-46-49(43,44)47-25-29-28(37-38-34)21-31(48-29)39-23-26(3)32(41)36-33(39)42;/h23,27-29,31H,4-22,24-25H2,1-3H3,(H,35,40)(H,43,44)(H,36,41,42);/q;+1/p-1