2-(hydroxymethyl)piperidine-3,4,5-triol hydrochloride

• ChemBase编号: 103171
• 分子式: C6H14ClNO4
• 平均质量: 199.63266
• 单一同位素质量: 199.06113561
• SMILES: Cl.OCC1NCC(O)C(O)C1O
• Canonical SMILES: OCC1NCC(C(C1O)O)O.Cl
• InChI: InChI=1S/C6H13NO4.ClH/c8-2-3-5(10)6(11)4(9)1-7-3;/h3-11H,1-2H2;1H
• InChIKey: ZJIHMALTJRDNQI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(hydroxymethyl)piperidine-3,4,5-triol hydrochloride
• IUPAC传统名: 1 deoxynojirimycin hydrochloride
• 别名: 1,5-Dideoxy-1,5-imino-D-glucitol hydrochloride; (+)-1-DEOXYNOJIRIMYCIN HYDROCHLORIDE; 1,5-Dideoxy-1,5-imino-D-mannitol hydrochloride; (+)-1-DEOXYMANNOJIRIMYCIN HYDROCHLORIDE

登记号

• CAS号: 19130-96-2; 84444-90-6
• PubChem SID: 162090348
• PubChem CID: 377339

理论计算性质

• Acid pKa: 12.906054
• 质子受体: 5
• 质子供体: 5
• LogD (pH = 5.5): -5.3671846
• LogD (pH = 7.4): -3.6328244
• Log P: -2.8857431
• 摩尔折射率: 36.5744 cm^3
• 极化性: 15.1906805 Å^3
• 极化表面积: 92.95 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C; 0°C, Desiccate
• RTECS编号: TN4350300

详细说明

MP Biomedicals - 02150819

Hydrochloride
Interferes with normal processing of
N-linked glycoproteins, producing reduced amounts of complex type oligosaccharides.

MP Biomedicals - 02150802

Inhibits processing of N-linked glycoproteins by inhibiting the action of mannosidases 1A/B.

参考文献

• J. Biol. Chem. , 257 : 14155 (1982).
• Bischoff, J., et al., J. Biol. Chem., 261: 4766 (1986).