(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol

• ChemBase编号: 105541
• 分子式: C7H14O6
• 平均质量: 194.18246
• 单一同位素质量: 194.07903817
• SMILES: O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1OC)CO
• Canonical SMILES: CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
• InChIKey: HOVAGTYPODGVJG-VOQCIKJUSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
• IUPAC传统名: methyl galactoside
• 别名: Methyl β-D-galactoside; Methyl-β-D-galactopyranoside; Methyl β-D-galactoside; METHYL-β-D-GALACTOPYRANOSIDE; 1-O-Methyl-β-D-galactopyranoside; β-Methylgalactose; NSC 33685; Methyl β-D-Galactopyranoside

登记号

• CAS号: 1824-94-8
• EC号: 217-361-7
• MDL号: MFCD00064357
• Beilstein号: 81569
• PubChem SID: 24896547; 24885027; 162092144
• PubChem CID: 94214

理论计算性质

• Acid pKa: 12.211393
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -2.2894127
• LogD (pH = 7.4): -2.2894194
• Log P: -2.2894127
• 摩尔折射率: 40.6746 cm^3
• 极化性: 17.016506 Å^3
• 极化表面积: 99.38 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 165-168°C; 172-180 °C
• 比旋光度: [α]20/D -16±1°, c = 1.5% in methanol

安全信息

• 保存条件: 2-8°C; Refrigerator
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (sum of enantiomers, HPLC)
• 级别: purum
• Empirical Formula (Hill Notation): C7H14O6

详细说明

MP Biomedicals - 02191199

(Methyl β-D-galactoside)

Sigma Aldrich - M0285

包装
1 g in poly tube
5, 10 g in poly bottle