90214-99-6 , Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{a-D-glucopyranosyl}-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside

90214-99-6 , Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{a-D-glucopyranosyl}-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside
Cas:90214-99-6
C30H52O23S / 812.79
MFCD00058662

Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{a-D-glucopyranosyl}-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside

Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{a-D-glucopyranosyl}-a-D-glucopyranosyl]-a-D-glucopyranosyl)-b-D-glucopyranoside is a synthetic carbohydrate with a molecular weight of 1406. It has been custom synthesized and modified to contain fluorine, methyl, and saccharide groups. Carbomethoxyethylthioethyl 4-O-(4 -O-[6 -O-[a -D - glucopyranosyl] - a - D - glucopyranosyl] - a - D - glucopyranosyl) b - D - glucopyranoside has been shown to be useful in the synthesis of oligosaccharides and polysaccharides.

CAS Number	90214-99-6
Product Name	Carbomethoxyethylthioethyl 4-O-(4-O-[6-O-{A-D-glucopyranosyl}-A-D-glucopyranosyl]-A-D-glucopyranosyl)-B-D-glucopyranoside
IUPAC Name	methyl 3-[2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylsulfanyl]propanoate
Molecular Formula	C30H52O23S
Molecular Weight	812.8 g/mol
InChI	InChI=1S/C30H52O23S/c1-45-14(34)2-4-54-5-3-46-27-23(43)19(39)25(11(7-32)49-27)53-30-24(44)20(40)26(12(8-33)50-30)52-29-22(42)18(38)16(36)13(51-29)9-47-28-21(41)17(37)15(35)10(6-31)48-28/h10-13,15-33,35-44H,2-9H2,1H3/t10-,11-,12-,13-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-/m1/s1
InChI Key	MKTPIJALRAGUNO-RVVKZAMSSA-N
SMILES	COC(=O)CCSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O
Canonical SMILES	COC(=O)CCSCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O)O
Isomeric SMILES	COC(=O)CCSCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)O