Trehalose 2-sulfate

azane;[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate

Also Known As: Trehalose 2-sulfate|2-O-Sulfotrehalose, ammonium salt|Trehalose 2-sulfate, ammonium salt|Ammonium alpha,alpha-trehalose 2-sulfate|2-O-Sulfohexopyranosyl hexopyranoside--ammonia (1/1)|azane;[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate|A-d-glucopyranosyl 2-o-sulfo-|A-d-glucopyranoside ammoniate(1:1)|2-O-Sulfo-alpha-D-glucopyranosyl alpha-D-glucopyranoside--ammonia (1/1)|a-D-Glucopyranoside, a-D-glucopyranosyl, 2-(hydrogensulfate), monoammonium salt (9CI)|alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, (S-(R*,R*))-, ammonium salt|azane; [(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] hydrogen sulfate

Molecular Formula	C12H25NO14S
Molecular Weight	439.09958 g/mol
LogP	-5.4081
Topological Polar Surface Area	242.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	439.09958
Monoisotopic Mass	439.09958
Heavy Atoms	28
Complexity	579.0

Chemical Identifiers

CAS Number	97568-33-7
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS(=O)(=O)O)O)O)O)O.N
InChIKey	KCSITTGCEUPVOC-INJDEQCRSA-N