[(2R,3S,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-azido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-azido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,4R,5R,6R)-5-azido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-azido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3R,4R,5S,6R)-3-azido-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl] ester Formula: C12H19N3O7 MolecularWeight: 317.29516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(OC(C1O)CO)OC)N=[N+]=[N-]

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)N=[N+]=[N-]

InChI

InChI=1S/C12H19N3O7/c1-6(17)3-4-8(18)22-11-9(14-15-13)12(20-2)21-7(5-16)10(11)19/h7,9-12,16,19H,3-5H2,1-2H3/t7-,9-,10-,11-,12-/m1/s1