2-N-[4-(1-AZITRIFLUOROETHYL)BENZOYL]-1,3-BIS-(D-MANNOS-4-YLOXY)-2-PROPYLAMINE

CAS No.
129461-18-3
CCD No.
CCD00115389
Formula
C24 H32 F3 N3 O13
MolWeight
627.519

Basic Information

Product Name: 2-N-[4-(1-AZITRIFLUOROETHYL)BENZOYL]-1,3-BIS-(D-MANNOS-4-YLOXY)-2-PROPYLAMINE
CAS: 129461-18-3
English Synonyms: 4,4'-O-[2-[[4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOYL]AMINO]-1,3-PROPANEDIYL]BIS-D-MANNOSE ; ATB-BMPA ; 2-N-[4-(1-AZITRIFLUOROETHYL)BENZOYL]-1,3-BIS-(D-MANNOS-4-YLOXY)-2-PROPYLAMINE ; 2-N-[(4-AZITRIFLUOROETHYL)BENZOYL]-1-3-BIS-(D-MANNOS-4-YLOXYL)-2-PROPYLAMINE
MDL Number.: MFCD00269921
H bond acceptor: 16
H bond donor: 9
Smile: c1cc(ccc1C(=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
InChi: InChI=1S/C24H32F3N3O13/c25-24(26,27)23(29-30-23)12-3-1-11(2-4-12)22(41)28-13(9-42-20(16(37)7-33)18(39)14(35)5-31)10-43-21(17(38)8-34)19(40)15(36)6-32/h1-6,13-21,33-40H,7-10H2,(H,28,41)/t14-,15-,16-,17-,18-,19-,20-,21-/m1/s1
InChiKey: InChIKey=BNNTXNQYYMQOJE-SHFKJJOWSA-N

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