[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl octadecanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl octadecanoate Openeye Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H48N3O9P MolecularWeight: 589.658481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H48N3O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)37-20-21-25(39-40(34,35)36)24(32)26(38-21)30-19-18-22(28)29-27(30)33/h18-19,21,24-26,32H,2-17,20H2,1H3,(H2,28,29,33)(H2,34,35,36)/t21-,24-,25-,26-/m1/s1