N-Acetyl-D-Glucosamine

HCID 439174
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Basic information

CAS
7512-17-6
Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey
OVRNDRQMDRJTHS-RTRLPJTCSA-N
Molecular formula
C8H15NO6
Average molar mass
221.21 g/mol
Monoisotopic mass
221.0899372

Overview

N-acetyl-D-glucosamine is the D isomer of N-acetylglucosamine. It has a role as a bacterial metabolite. It is a N-acetyl-D-hexosamine and a N-acetylglucosamine.

Names & identifiers

Preferred name
N-Acetyl-D-Glucosamine
IUPAC
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Names & synonyms

2-acetamido-2-deoxy-D-glucopyranoseGlcNAc2-Deoxy-2-Acetamido-D-Glucopyranosen-acetyl-glucosamine2-acetamido-2-deoxy-glucose2-Deoxy-2-Acetamido-Glucose2-Acetamido-2-Deoxy-Glucopyranose2-Deoxy-2-Acetamido-Glucopyranose2-acetamido-2-deoxy-glucopyranoside2-Deoxy-2-Acetamido-Glucopyranoside2-acetamido-2-deoxy-D-glucopyranoside2-Deoxy-2-Acetamido-D-Glucopyranoside
Show more names
2-Acetamido-2-Deoxy-D-Glucose2-Deoxy-2-Acetamido-D-GlucoseD-GlcNAcGlcNAc (SNFG)N-Acetyl-D-GlucosamineSNFG:GlcNAcN-AcetylchitosamineN-Acetyl-D-glucosamine-Agarose

Database identifiers

CAS
7512-17-6
PubChem CID
439174
DTXSID
DTXSID901045903
ChEMBL
CHEMBL240524
ChEBI
CHEBI:506227
Nikkaji
J35.752I

Properties

Computed structural propertiesFilling in

XLogP
-1.7
Topological polar surface area
119 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

LogP-2.1
Solubility · 2 items

167 mg/mL

>33.2 [ug/mL] (The mean of the results at pH 7.4)

Melting Point210 °C
Physical DescriptionSolid
Collision Cross Section · 2 items

147.3 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

160.36 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

Chemistry & industry

Pharmacology

Tissue LocationsIntestine
Cellular LocationsCytoplasm
Metabolite PathwaysAmino Sugar Metabolism

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

38 records
New reaction record

Compound notes

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