117467-64-8 , Chitopentaose 5HCl ; Chitosan pentamer

117467-64-8 , Chitopentaose 5HCl ;
Chitosan pentamer
C30H57N5O21·5HCl / 1006.01
MFCD00210265

Chitopentaose 5HCl ;Chitosan pentamer

CAS Number	117467-64-8
Product Name	(2R,3R,4S,5R)-2-Amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal;pentahydrochloride
IUPAC Name	(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal;pentahydrochloride
Molecular Formula	C30H62Cl5N5O21
Molecular Weight	1006.1 g/mol
InChI	InChI=1S/C30H57N5O21.5ClH/c31-7(1-36)17(43)23(8(42)2-37)53-28-14(33)20(46)25(10(4-39)50-28)55-30-16(35)22(48)26(12(6-41)52-30)56-29-15(34)21(47)24(11(5-40)51-29)54-27-13(32)19(45)18(44)9(3-38)49-27;;;;;/h1,7-30,37-48H,2-6,31-35H2;5*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-;;;;;/m0...../s1
InChI Key	CQDWTALLCUNVFU-MNZPGXLZSA-N
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)OC4C(OC(C(C4O)N)OC(C(CO)O)C(C(C=O)N)O)CO)CO)CO)N)O)O)O.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)OC(C(CO)O)C(C(C=O)N)O)CO)CO)CO)N)O)O)O.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]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)CO)CO)N)O)O)O.Cl.Cl.Cl.Cl.Cl