GlyTouCan:G49187ZK
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Identity
GlyTouCan:G49187ZK
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID: 3036169
2D Structure
Properties
C12H22O11
Molecular Formula
342.30
Molecular Weight
g/mol
342.1162
Exact Mass
Da
-3.7
XLogP
Drug-like (Lipinski: < 5)
190
TPSA
May have limited oral absorption
8
H-Bond Donors
11
H-Bond Acceptors
395
Complexity
SMILES
Canonical SMILES
SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)OIsomeric SMILES
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)OSynonyms(10)
RefChem:992275GlyTouCan:G49187ZKG49187ZKD(+)-SucroseAlpha-D-Fructofuranosyl Alpha-D-Glucopyranoside(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL365357Q27465514(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triolSWE
Data from PubChem (NCBI)
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