[(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-azido-5-iodanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-azido-5-iodanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5S,6S)-3,4-diacetoxy-6-azido-5-iodo-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-azido-5-iodo-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-azido-5-iodooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5S,6S)-3,4-diacetoxy-6-azido-5-iodo-tetrahydropyran-2-yl]methyl ester Formula: C12H16IN3O7 MolecularWeight: 441.17581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])I)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)N=[N+]=[N-])I)OC(=O)C)OC(=O)C

InChI

InChI=1S/C12H16IN3O7/c1-5(17)20-4-8-10(21-6(2)18)11(22-7(3)19)9(13)12(23-8)15-16-14/h8-12H,4H2,1-3H3/t8-,9+,10-,11-,12+/m1/s1