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

Systemtic Name: sodium [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl (2-ethoxy-3-hexadecoxy-propyl) phosphate Openeye Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (2-ethoxy-3-hexadecoxy-propyl) phosphate CAS Name: sodium [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl (2-ethoxy-3-hexadecoxypropyl) phosphate IUPAC Name: sodium [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-ethoxy-3-hexadecoxypropyl) phosphate Traditional Name: sodium [3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (3-cetyloxy-2-ethoxy-propyl) phosphate Formula: C31H55N5NaO9P MolecularWeight: 695.760031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N5O9P.Na/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-41-22-26(42-5-2)23-43-46(39,40)44-24-28-27(34-35-32)20-29(45-28)36-21-25(3)30(37)33-31(36)38;/h21,26-29H,4-20,22-24H2,1-3H3,(H,39,40)(H,33,37,38);/q;+1/p-1