(2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane

Systemtic Name: (2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane Openeye Name: (2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane CAS Name: (2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane IUPAC Name: (2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane Traditional Name: (2S,4R,5S)-5-azido-4-[(1S)-1-azidopentadec-3-ynyl]-2-methyl-1,3-dioxane Formula: C20H34N6O2 MolecularWeight: 390.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CCC(C1C(COC(O1)C)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCCCCC#CC[C@@H]([C@@H]1[C@H](CO[C@@H](O1)C)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C20H34N6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23-25-21)20-19(24-26-22)16-27-17(2)28-20/h17-20H,3-12,15-16H2,1-2H3/t17-,18-,19-,20+/m0/s1