A2 GLYCAN AMMONIUM SALT

CAS No.
71496-55-4
CCD No.
CCD08068523
Formula
C84 H138 N6 O62
MolWeight
2223.99

Basic Information

Product Name: A2 GLYCAN AMMONIUM SALT
CAS: 71496-55-4
English Synonyms: MANNOTRIOSE-DI-(N-ACETYL-D-GLUCOSAMINE), BIS([N-ACETYL-D-NEURAMINYL]-GALACTOSYL-[N-ACETYL-D-GLUCOSAMINYL]) AMMONIUM SALT ; A2 GLYCAN AMMONIUM SALT ; A2 N-GLYCAN AMMONIUM SALT ; DISIALO (2,6), BIANTENNARY (A2)
MDL Number.: MFCD01310891
H bond acceptor: 68
H bond donor: 39
Smile: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)CO)O)O)CO)O)O)O)O
InChi: InChI=1S/C84H138N6O62/c1-21(100)85-27(9-91)46(111)64(32(110)12-94)144-73-43(88-24(4)103)54(119)67(37(17-99)138-73)147-78-63(128)70(148-80-72(60(125)50(115)34(14-96)137-80)150-75-45(90-26(6)105)56(121)66(36(16-98)140-75)146-77-62(127)58(123)52(117)40(143-77)20-135-84(82(131)132)8-29(107)42(87-23(3)102)69(152-84)48(113)31(109)11-93)53(118)38(141-78)18-133-79-71(59(124)49(114)33(13-95)136-79)149-74-44(89-25(5)104)55(120)65(35(15-97)139-74)145-76-61(126)57(122)51(116)39(142-76)19-134-83(81(129)130)7-28(106)41(86-22(2)101)68(151-83)47(112)30(108)10-92/h9,27-80,92-99,106-128H,7-8,10-20H2,1-6H3,(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,89,104)(H,90,105)(H,129,130)(H,131,132)/t27-,28-,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,61+,62+,63-,64+,65+,66+,67+,68+,69+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80+,83+,84+/m0/s1
InChiKey: InChIKey=OUUDFCLKLQVGTB-YEUWVLACSA-N

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