N-sulfo-D-glucosamine

HCID 453619CAS 38899-05-7

基本情報

標準SMILES: O=S(=O)(O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: PRDZVHCOEWJPOB-IVMDWMLBSA-N
分子式: C6H13NO8S
平均分子量: 259.24 g/mol
単同位体質量: 259.03618755

名称と識別子

優先名称: N-sulfo-D-glucosamine
IUPAC: [(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]sulfamic acid
英語名: N-Sulfo-glucosamine sodium salt
分子式: C6H14NNaO8S
分子量: 283.23

名称と別名

N-sulfo-D-glucosamineCHEBI:167022-deoxy-2-sulfoamino-D-glucopyranoseRefChem:164232GlyTouCan:G41251HAG41251HAGlcNSGlucosamine-2-sulfate2-Deoxy-2-(sulfoamino)-D-glucopyranoseD-Glucosamine-2-sulfateSCHEMBL1542063DTXSID40959664

名称をさらに表示

D-Glucosamine 2-sufate sodium saltD-GLUCOSAMINE SULFATE SODIUM CHLORIDED-GLUCOSAMINE 2-SULFATE SODIUM SALTD-GLUCOSAMINE 2-SULFATE SODIUMGlcN-2SGLCN-2S, NASODIUMSALT(6CI)glucosaMine sulfate (Na)D-GlucosaMine Sulfate 2KCIGLUCOSAMINE SULFATE (SODIUM)

PRDZVHCOEWJPOB-IVMDWMLBSA-N2-Deoxy-2-(sulfoamino)hexopyranoseBDBM50608272C01075Q27102034[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]sulfamic acid

データベース識別子

CAS: 38899-05-7
PubChem CID: 453619
DTXSID: DTXSID40959664
ChEBI: CHEBI:16702
Nikkaji: J1.781.278E

物性

構造計算による物性

XLogP: -2.4
極性表面積: 165 Å²
水素結合供与体数: 6
水素結合受容体数: 9
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 326

物理化学的性質

貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: Soluble in DMSO
InChI: InChI=1/C6H13NO8S.Na.H/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9;;/h1,3-7,9-12H,2H2,(H,13,14,15);;/t3-,4+,5+,6+;;/s3
InChIKey: XWFHXUOTHFHRAS-IWNCBHIWNA-N
SMILES: [C@@H](C=O)(NS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H](O)CO.[NaH] |&1:0,8,10,12,r|
CAS データベース: 38899 · 38899-05-7(CAS DataBase Reference)

化学的性質

化学的特性powder

安全と法規制

安全データ

wgk: 3
hs_code: 29329990

化学と産業

応用分野 · 1 件

説明N-Sulfo-glucosamine sodium salt is a synthetic, high purity carbohydrate with a custom synthesis. It is an oligosaccharide that is also a sugar and a saccharide. The methylation of it can be achieved by glycosylation or click modification. Click modification is the addition of a carbon atom to the molecule through the reaction with an electrophile, such as N-hydroxysuccinimide ester. This modification can be used to introduce fluorine atoms into the molecules, which can improve their solubility and stability. The product has shown anti-inflammatory activities in animal models, which may be due to its ability to inhibit prostaglandin synthesis.

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