41708-95-6 , Chitohexaose 6HCl,
壳六糖六盐酸盐 ,
CAS:41708-95-6
C36H74Cl6N6O25 / 1203.72
Nematode glycan mediating activation of macrophages.
CAS Number | 41708-95-6 |
Product Name | Chitohexaose 6-hydrochloride |
IUPAC Name | (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;hexahydrochloride |
Molecular Formula | C36H74Cl6N6O25 |
Molecular Weight | 1203.72 g/mol |
InChI | InChI=1S/C36H68N6O25.6ClH/c37-13-21(51)26(8(2-44)57-31(13)56)63-33-15(39)23(53)28(10(4-46)59-33)65-35-17(41)25(55)30(12(6-48)61-35)67-36-18(42)24(54)29(11(5-47)62-36)66-34-16(40)22(52)27(9(3-45)60-34)64-32-14(38)20(50)19(49)7(1-43)58-32;;;;;;/h7-36,43-56H,1-6,37-42H2;6*1H/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32+,33+,34+,35+,36+;;;;;;/m1....../s1 |
InChI Key | VWRFWLUKCKULCO-JARJSWFESA-N |
SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)OC4C(OC(C(C4O)N)OC5C(OC(C(C5O)N)OC6C(OC(C(C6O)N)O)CO)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl |
Canonical SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)OC4C(OC(C(C4O)N)OC5C(OC(C(C5O)N)OC6C(OC(C(C6O)N)O)CO)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl |
Isomeric SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)N)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)N)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)N)O)CO)CO)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl.Cl |
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