[(3S,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] docosanoate

Systemtic Name: [(3S,4R,5R)-2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] docosanoate Openeye Name: [(3S,4R,5R)-2-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] docosanoate CAS Name: docosanoic acid [(3S,4R,5R)-2-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [(3S,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] docosanoate Traditional Name: behenic acid [(3S,4R,5R)-2-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C31H55N3O6 MolecularWeight: 565.7849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H]([C@H](OC1N2C=CC(=NC2=O)N)CO)O

InChI

InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)40-29-28(37)25(24-35)39-30(29)34-23-22-26(32)33-31(34)38/h22-23,25,28-30,35,37H,2-21,24H2,1H3,(H2,32,33,38)/t25-,28-,29+,30?/m1/s1