N-[(2R,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
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![N-[(2R,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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/397c72e5374940428abecd0a9bcba909.png "N-[(2R,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")
N-[(2R,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
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CAS No:
35991-83-4
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Formula:
C16H28N2O11
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Chemical Name:
N-[(2R,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
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Synonyms:
Chitodextrin;N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine;betaGlcNAc(1->4)betaGlcNAc;CHEBI:50670;beta-D-GlcNAc-(1->4)-beta-D-GlcNAc;beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc;35061-50-8;2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose;N-((2R,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide;GlcNAcb1-4GlcNAcb;GlcNAcbeta1,4GlcNAc;GlcNAcbeta1-4GlcNAcbeta;Epitope ID:153212;SCHEMBL619917;betaGlcNAc(1-->4)betaGlcNAc;CHEMBL467754;ZINC4095478;DB03013;N-[(3R,4R,5S,6R)-5-[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;beta-D-GlcNAc-(1-->4)-beta-D-GlcNAc;beta-D-GlcpNAc-(1-->4)-beta-D-GlcpNAc;Q27104776;N-acetyl- -D-glucosaminyl-(1->4)-N-acetyl- -D-glucosamine
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CAS No:
Description
N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine is an N,N'-diacetylchitobiose having beta-configuration at the reducing end anomeric centre. It has a role as an epitope. It derives from a beta-D-glucosaminyl-(1->4)-beta-D-glucosamine.
N-[(2R,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 Basic Attributes
424.40 g/mol
424.16930971 g/mol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:424.40
XLogP3:-4.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:424.16930971
Monoisotopic Mass:424.16930971
Topological Polar Surface Area:207
Heavy Atom Count:29
Complexity:579
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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