[(2R,3S,4S,5R,6R)-6-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl octanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl octanoate Openeye Name: [(2R,3S,4S,5R,6R)-5-(benzyloxycarbonylamino)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl octanoate CAS Name: octanoic acid [(2R,3S,4S,5R,6R)-6-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl octanoate Traditional Name: caprylic acid [(2R,3S,4S,5R,6R)-5-(benzyloxycarbonylamino)-6-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C26H34FN3O9 MolecularWeight: 551.561263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCCCC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C26H34FN3O9/c1-2-3-4-5-9-12-19(31)37-15-18-21(32)22(33)20(28-26(36)38-14-16-10-7-6-8-11-16)24(39-18)30-13-17(27)23(34)29-25(30)35/h6-8,10-11,13,18,20-22,24,32-33H,2-5,9,12,14-15H2,1H3,(H,28,36)(H,29,34,35)/t18-,20-,21-,22+,24-/m1/s1