13-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-13-oxo-tridecanoic acid CAS Name: 13-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy]-13-oxotridecanoic acid IUPAC Name: 13-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy]-13-oxotridecanoic acid Traditional Name: 13-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-13-keto-tridecanoic acid Formula: C22H35N3O7 MolecularWeight: 453.5292

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCCC(=O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COC(=O)CCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C22H35N3O7/c23-18-12-13-25(22(30)24-18)19-14-16(26)17(32-19)15-31-21(29)11-9-7-5-3-1-2-4-6-8-10-20(27)28/h12-13,16-17,19,26H,1-11,14-15H2,(H,27,28)(H2,23,24,30)/t16-,17+,19+/m0/s1