61425-46-5 , 1,4-b-D-Cellohexaitol

61425-46-5 , 1,4-b-D-Cellohexaitol
C36H64O31 / 992.87

1,4-b-D-Cellohexaitol

1,4-B-D-cellobiohexaitol is a potent inhibitor of cellobiose phosphorylase and has been shown to inhibit the activity of this enzyme in a competitive manner. 1,4-B-D-cellobiohexaitol binds to cellulose and other sugars, which may be related to its toxicity. It is not toxic to animals because they do not have the same sugar binding sites as bacteria. 1,4-B-D-cellobiohexaitol has been shown to be effective against Streptomyces lividans and S. coelicolor. This substance inhibits Streptomyces growth by binding to glucose and galactose present in the cell wall of these organisms.

CAS Number	61425-46-5
Product Name	Cellohexitol
IUPAC Name	(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
Molecular Formula	C36H64O31
Molecular Weight	992.9 g/mol
InChI	InChI=1S/C36H64O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h8-57H,1-7H2/t8-,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-/m0/s1
InChI Key	VWZLWGQTMCIKEM-VXDFXQCISA-N
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC(C(CO)O)C(C(CO)O)O)CO)CO)CO)CO)O)O)O)O
Canonical SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC(C(CO)O)C(C(CO)O)O)CO)CO)CO)CO)O)O)O)O
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)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)CO)CO)CO)CO)O)O)O)O