[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl octadecanoate

Systemtic Name: [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl octadecanoate Openeye Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C28H47N5O5 MolecularWeight: 533.70328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]

InChI

InChI=1S/C28H47N5O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(34)37-21-24-23(31-32-29)19-25(38-24)33-20-22(2)27(35)30-28(33)36/h20,23-25H,3-19,21H2,1-2H3,(H,30,35,36)/t23-,24+,25+/m0/s1