Chitobiose Dihydrochloride

CAS	577-76-4
Structure
Synonyms	Beta-D-glucosaminyl-(1->4)-aldehydo-D-glucosamine
IUPAC Name	(2R,3R,4S,5R)-2-Amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanal
Molecular Weight	340.33
Molecular Formula	C12H24N2O9
Canonical SMILES	C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)N)O)N)O)O)O
InChI	InChI=1S/C12H24N2O9/c13-4(1-15)8(19)11(5(18)2-16)23-12-7(14)10(21)9(20)6(3-17)22-12/h1,4-12,16-21H,2-3,13-14H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-/m0/s1
InChI Key	VUALREFPJJODHZ-JTCHKQLLSA-N
Boiling Point	736.2±60.0 °C
Purity	98%+
Density	1.58±0.1 g/cm³
Solubility	Soluble in water
Complexity	374
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	340.14818035
Heavy Atom Count	23
Isomeric SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)N)O)N)O)O)O
Monoisotopic Mass	340.14818035
Physical State	White to light yellow powder
Storage Conditions	-20 °C
Topological Polar Surface Area	209 Ų