N,N'-Diacetylchitobiose

Catalog Number	ACM35061508
CAS	35061-50-8
Structure
Synonyms	Di-N-Acetyl-D-chitobiose
IUPAC Name	N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular Weight	424.4
Molecular Formula	C16H28N2O11
Canonical SMILES	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O
InChI	InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15,16+/m1/s1
InChI Key	CDOJPCSDOXYJJF-CBTAGEKQSA-N
Boiling Point	927.7±65.0 °C
Melting Point	245-247 °C
Purity	98%+
Density	1.50±0.1 g/cm³
Solubility	≥5mg/mL in water
Complexity	579
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	424.16930971
Heavy Atom Count	29
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O
Monoisotopic Mass	424.16930971
Physical State	White to pale yellow solid
Storage Conditions	-20 °C
Topological Polar Surface Area	207 Ų