Catalog Number
ACM41670999
Product Name
Chitobiose octaacetate
Category
Heterocyclic Organic Compound
Synonyms
N,N'-Diacetylchitobiose hexaacetate
IUPAC Name
[(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
Molecular Formula
C28H40N2O17
Canonical SMILES
CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)/t19-,20-,21-,22-,23-,24-,25-,26-,27,28+/m1/s1
InChI Key
JUYKRZRMNHWQCD-NCBZWLQXSA-N
Appearance
White Crystalline Solid
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]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
Monoisotopic Mass
676.23269781
Physical State
White solid
Topological Polar Surface Area
244 Ų
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![2-[(Acetylanilino)vinyl]-3-ethylnaphth[1,2-d]oxazolium iodide](https://resource.alfa-chemistry.com/structure/41672-54-2.gif)
![1,4-dioxaspiro[4.5]dec-2-ylmethanol](https://resource.alfa-chemistry.com/structure/4167-35-5.gif)
