基本情報
- 標準SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
OVRNDRQMDRJTHS-RTRLPJTCSA-N- 分子式
- C8H15NO6
- 平均分子量
- 221.21 g/mol
- 単同位体質量
- 221.0899372
概要
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.
名称と識別子
- 優先名称
- N-Acetyl-D-Glucosamine
- IUPAC
- N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
名称と別名
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
名称をさらに表示
2-Acetamido-2-Deoxy-D-Glucose2-Deoxy-2-Acetamido-D-GlucoseD-GlcNAcGlcNAc (SNFG)N-Acetyl-D-GlucosamineSNFG:GlcNAcN-AcetylchitosamineN-Acetyl-D-glucosamine-Agarose
データベース識別子
- CAS
7512-17-6- PubChem CID
- 439174
- DTXSID
DTXSID901045903- ChEMBL
CHEMBL240524- ChEBI
CHEBI:506227- Nikkaji
- J35.752I
物性
構造計算による物性
- XLogP
- -1.7
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 235
実験および物理化学的性質
LogP-2.1
Solubility
167 mg/mL
>33.2 [ug/mL] (The mean of the results at pH 7.4)
Melting Point210 °C
Physical DescriptionSolid
Collision Cross Section
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]
化学と産業
薬理情報
Tissue LocationsIntestine
Cellular LocationsCytoplasm
Metabolite PathwaysAmino Sugar Metabolism
関連反応
38 件
関連ノート
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