(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

• ChemBase编号: 90065
• 分子式: C7H17NO5
• 平均质量: 195.21358
• 单一同位素质量: 195.11067265
• SMILES: OC[C@H]([C@H]([C@H](O)[C@H](CNC)O)O)O
• Canonical SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• InChI: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1
• InChIKey: MBBZMMPHUWSWHV-BDVNFPICSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
• IUPAC传统名: N-methyl-D(-)-glucamine
• 别名: N-甲基-D-葡胺; N-甲基-D-葡胺; 葡甲胺; 葡甲胺; N-methylglucamine; Meglumine; 1-Deoxy-1-(methylamino)-D-glucitol; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-pentaol; 1-Deoxy-1-methylaminosorbitol; N-Methyl-D-glucamine; N-Methyl-D-glucamine; Meglumine

登记号

• CAS号: 6284-40-8
• EC号: 228-506-9
• MDL号: MFCD00004707
• Beilstein号: 385906
• PubChem SID: 24897320; 24885035; 24896593; 162076920
• PubChem CID: 8567

理论计算性质

• Acid pKa: 12.649772
• 质子受体: 6
• 质子供体: 6
• LogD (pH = 5.5): -6.4926486
• LogD (pH = 7.4): -5.11365
• Log P: -3.4043202
• 摩尔折射率: 44.8357 cm^3
• 极化性: 18.39889 Å^3
• 极化表面积: 113.18 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear, colorless
• 熔点: 126-131 °C; 129-131.5 °C(lit.); 129-131.5°C
• 自燃点: ~662 °F
• 比旋光度: [α]20/D -16.5±0.5°, c = 2% in H2O; [α]25/D -16.4°, c = 10 in H2O

安全信息

• 保存注意事项: Irritant/Hygroscopic/Air Sensitive/Store under Argon
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0% (T); 95+%; 99%; 99.0-100.5% (titration)
• 级别: ReagentPlus®
• 适用性: meets USP testing specifications
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤20 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤5 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C7H17NO5

详细说明

Sigma Aldrich - M2004

包装
1 kg in poly drum
100, 500 g in poly bottle

Sigma Aldrich - 66930

法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC