2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine
N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
Also Known As: Atb-bmpa|N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide|2-N-[4-(1-Azitrifluoroethyl)benzoyl]-1,3-bis-(D-mannos -4-yloxy)-2-propylamine|2-N-[4-(1-Azitrifluoroethyl)benzoyl]-1,3-bis-(D-mannos-4-yloxy)-2-propylamine|2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine|2-N-4-(1-Azi-2,2,2-trifluoroethyl)benzoyl-1,3-bis(D-mannos-4-yloxy)-2-propylamine|4,4'-O-[2-[[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-D-mannose; ATB-BMPA;|4,4-O-[2-[[4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-D-mannose|D-Mannose, 4,4'-O-(2-((4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoyl)amino)-1,3-propanediyl)bis-|D-Mannose, 4,4a(2)-O-[2-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]amino]-1,3-propanediyl]bis-|N-(1,3-Bis(((2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy)propan-2-yl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide
| Molecular Formula | C24H32F3N3O13 |
|---|---|
| Molecular Weight | 627.1887 g/mol |
| LogP | -3.72 |
| Topological Polar Surface Area | 268.26 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 627.1887 |
| Heavy Atoms | 43 |
| Complexity | 1050.5 |
Chemical Identifiers
| CAS Number | 129461-18-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)C2(N=N2)C(F)(F)F |
Product Overview
2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine (CAS 129461-18-3), with molecular formula C24H32F3N3O13 and molecular weight 627.1887 g/mol. IUPAC: N-[1,3-bis[[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy]propan-2-yl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide.
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