[(2R,3R,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] (Z)-octadec-9-enoate

Systemtic Name: [(2R,3R,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] (Z)-octadec-9-enoate Openeye Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [(2R,3R,4R,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [(2R,3R,4R,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C27H45N3O6 MolecularWeight: 507.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1C(C(OC1N2C=CC(=NC2=O)N)CO)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

InChI

InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)36-25-24(33)21(20-31)35-26(25)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,31,33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9-/t21-,24-,25-,26-/m1/s1