AC1MS9WM

2-[6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: 2-Cyclohexylethyl-4-O-(a-D-glucopyranosyl)-b-D-glucopyranoside|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-(2-CYCLOHEXYLETHOXY)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL|2-[6-(2-cyclohexylethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|MA5

Molecular Formula	C20H36O11
Molecular Weight	452.22577 g/mol
LogP	-2.4025
Topological Polar Surface Area	178.53 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	452.22577
Monoisotopic Mass	452.22577
Heavy Atoms	31
Complexity	527.2555

Chemical Identifiers

CAS Number	260804-65-7
SMILES	C1CCC(CC1)CCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O