GlyTouCan:G65859HT

2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: RAFFINOSE|Gentianose|Melitriose|D-Raffinose|Gossypose|Melitose|d-(+)-Raffinose|GlyTouCan:G65859HT|G65859HT|EINECS 208-146-9|hex-2-ulofuranosyl hexopyranosyl-(1-|hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside|AI3-19427|.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-|8B9D7972-620D-470F-8E2C-4F757DDC627E|(3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol|2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|O(C1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C3(CO)OC(CO)C(O)C3O

Molecular Formula	C18H32O16
Molecular Weight	504.16904 g/mol
LogP	-5.8
Topological Polar Surface Area	269.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	504.16904
Monoisotopic Mass	504.16904
Heavy Atoms	34
Complexity	655.0

Chemical Identifiers

CAS Number	54582-90-0
SMILES	C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O
InChIKey	MUPFEKGTMRGPLJ-UHFFFAOYSA-N