Chitotriose

(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal

Also Known As: chitotriose|Chitintriose|Chitotrisaccharide|Chitosan Trimer|Indicine N-oxide|Chitotriose Trihydrochloride|Chitotriose Hydrochloride|CHITOTRIOSE 3HCL|TN8326|(2R,3R,4R,5R)-2-AMINO-4-[(2R,3R,4R,5S,6R)-3-AMINO-5-[(2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-4-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3,5,6-TRIHYDROXY-HEXANAL|(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal|2-Amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy|(2R,3R,4S,5R)-2-amino-4-(((2S,3R,4R,5S,6R)-3-amino-5-(((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-3,5,6-trihydroxyhexanal|(2R,3R,4S,5R)-2-amino-4-(((2S,3R,4R,5S,6R)-3-amino-5-(((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5,6-trihydroxyhexanal|(2R,3R,4S,5R)-2-amino-4-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6-trihydroxy-hexanal|(2R,3R,4S,5R)-2-amino-4-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxyhexanal|(2R,3S,4R,5R,6S)-5-amino-6-((2R,3S,4R,5R,6S)-5-amino-6-((2R,3S,4R,5R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-2-(hydroxymethyl)oxane-3,4-diol|2-Amino-2-deoxy-|A-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucose|2-Amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucose|D-Glucose, O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-amino-2-deoxy-|O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-Glucose|O-2-amino-2-deoxy-beta-delta-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-beta-delta-glucopyranosyl-(1->4)-2-amino-2-deoxy-delta-Glucose

Molecular Formula	C18H35N3O13
Molecular Weight	501.21698 g/mol
LogP	-7.83
Topological Polar Surface Area	293.89 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	501.21698
Heavy Atoms	34
Complexity	631.9

Chemical Identifiers

CAS Number	41708-93-4
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)CO)N)O)O)O