Chitintriose

CAS	41708-93-4
Structure
Synonyms	Chitotrisaccharide
IUPAC Name	(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
Molecular Weight	501.5
Canonical SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC(C(CO)O)C(C(C=O)N)O)CO)N)O)O)O
InChI	InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,23-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1
InChI Key	HBAVVSYNWHLVDB-UDAFUQIYSA-N
Boiling Point	903.7±65.0 °C
Purity	98%+
Density	1.63±0.1 g/cm³
Solubility	Soluble in water
Complexity	636
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Exact Mass	501.21698818
Heavy Atom Count	34
Isomeric 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
Monoisotopic Mass	501.21698818
Physical State	White to light yellow powder
Storage Conditions	-20 °C
Topological Polar Surface Area	294 Ų