[(2S,3S,4S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-nonanoyloxy-oxolan-2-yl]methyl nonanoate

Systemtic Name: [(2S,3S,4S,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-nonanoyloxy-oxolan-2-yl]methyl nonanoate Openeye Name: [(2S,3S,4S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-methoxy-3-nonanoyloxy-tetrahydrofuran-2-yl]methyl nonanoate CAS Name: nonanoic acid [(2S,3S,4S,5S)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-methoxy-3-(1-oxononoxy)-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxy-3-nonanoyloxyoxolan-2-yl]methyl nonanoate Traditional Name: pelargonic acid [(2S,3S,4S,5S)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-methoxy-3-pelargonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C28H47N3O7 MolecularWeight: 537.68868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC)OC(=O)CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H47N3O7/c1-4-6-8-10-12-14-16-23(32)36-20-21-25(38-24(33)17-15-13-11-9-7-5-2)26(35-3)27(37-21)31-19-18-22(29)30-28(31)34/h18-19,21,25-27H,4-17,20H2,1-3H3,(H2,29,30,34)/t21-,25-,26-,27-/m0/s1