Catalog Number
ACM35061508
Product Name
N,N'-Diacetylchitobiose
Category
Heterocyclic Organic Compound
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 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
Solubility
≥5mg/mL in water
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
9
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
Topological Polar Surface Area
207 Ų
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![Alpha-allylbenzo[b]thiophene-3-propionic acid](https://resource.alfa-chemistry.com/structure/35062-46-5.gif)
