35061-50-8 , N,N'-Diacetylchitobiose , GlcNAc-b-1,4-GlcNAc
C16H28N2O11 / 424.4
MFCD00077715
N,N'-diacetylchitobiose is the N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It derives from a beta-D-glucosaminyl-(1->4)-D-glucosamine.
N, N'-diacetylchitobiose, also known as (glcnac)2, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. N, N'-diacetylchitobiose can be biosynthesized from beta-D-glucosaminyl-(1->4)-D-glucosamine.
CAS Number | 35061-50-8 |
Product Name | N,N'-diacetylchitobiose |
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 |
Molecular Weight | 424.4 g/mol |
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 | PLJAKLUDUPBLGD-VLWZLFBZSA-N |
SMILES | CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O |
Synonyms | 2-(Acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucose; Bis(N-acetyl)chitobiose; Chitobiose Diacetate; N,N’-Diacetyl-D-chitobiose; |
Canonical SMILES | CC(=O)NC1C(C(C(OC1OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)O)O |
Isomeric SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O |
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