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Name: azide

IUPAC: [(2R,3R,4S,5S,6S)-3,4-diacetyloxy-6-(3-azidopropoxy)-5-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate

SMILES: CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3[C@@H](OCCCN=[N+]=[N-])O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)O[C@H](COC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OCCCN=[N+]=[N-])OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Molecular formula: C41H57N3O26

Molecular weight: 1007.90

InChIKey: ASWJVNNAVJTCLE-XOAKBJSLSA-N

InChI: InChI=1S/C41H57N3O26/c1-17(45)56-14-27-30(59-20(4)48)33(62-23(7)51)36(39(66-27)55-13-11-12-43-44-42)70-41-38(65-26(10)54)35(32(61-22(6)50)29(68-41)16-58-19(3)47)69-40-37(64-25(9)53)34(63-24(8)52)31(60-21(5)49)28(67-40)15-57-18(2)46/h27-41H,11-16H2,1-10H3/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40-,41-/m1/s1

PubChem CID: 131731857 →

Synonyms

ASWJVNNAVJTCLE-XOAKBJSLSA-N3-Azidopropyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-acetyl-alpha-D-mannopyranosyl-(1->2)-3,4,6-tri-O-acetyl-alpha-D-mannopyranoside

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