sodium [2-ethoxy-3-(octadecanoylamino)propyl] [5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate

Systemtic Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] [5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Openeye Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] [5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate CAS Name: sodium [2-ethoxy-3-(1-oxooctadecylamino)propyl] [5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl phosphate IUPAC Name: sodium [2-ethoxy-3-(octadecanoylamino)propyl] [5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate Traditional Name: sodium (2-ethoxy-3-stearamido-propyl) [5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate Formula: C33H57N5NaO8P MolecularWeight: 705.797911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC1CCC(O1)N2C=NC3=C2NC=NC3=O)OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC1CCC(O1)N2C=NC3=C2NC=NC3=O)OCC.[Na+]

InChI

InChI=1S/C33H58N5O8P.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(39)34-22-28(43-4-2)24-45-47(41,42)44-23-27-20-21-30(46-27)38-26-37-31-32(38)35-25-36-33(31)40;/h25-28,30H,3-24H2,1-2H3,(H,34,39)(H,41,42)(H,35,36,40);/q;+1/p-1