(2H5)propane-1,2,3-triol

• ChemBase编号: 135732
• 分子式: C3H8O3
• 平均质量: 92.09382
• 单一同位素质量: 92.04734412
• SMILES: C(C(CO)O)O
• Canonical SMILES: OCC(CO)O
• InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
• InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₅)propane-1,2,3-triol
• IUPAC传统名: (^2H₅)propane-1,2,3-triol
• 别名: 甘油-1,1,2,3,3-d5; Glycerol-1,1,2,3,3-d5; 1,2,3-Propanetriol-d5; 1,3-Dihydroxy-2-propanol-d5; Propanetriol-d5; 1,2,3-Propane-1,1,2,3,3-d5-triol; 1,2,3-Trihydroxypropane-d5; Bulbold-d5; Cognis G-d5; Cristal-d5; DG Glycerin-d5; E 422-d5; Emery 916-d5; Glycerin-d5; Glycerin DG-d5; Glycerine-d5; Glyceritol-d5; Glycyl Alcohol-d5; Glyrol-d5; Glysanin-d5; M 314429-d5; Mackstat H 66-d5; NSC 9230-d5; Osmoglyn-d5; Pricerine 9088-d5; RG-d5; Trihydroxypropane-d5; Glycerol-d5

登记号

• CAS号: 62502-71-0
• MDL号: MFCD00084148
• PubChem SID: 162230005; 24868929
• PubChem CID: 11768502

理论计算性质

• Log P: -1.839014
• 摩尔折射率: 20.5161 cm^3
• 极化性: 8.232059 Å^3
• 极化表面积: 60.69 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 13.605499
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.839014
• LogD (pH = 7.4): -1.8390143

分子性质

理化性质

• 溶解度: Methanol
• 外观: Colorless Viscous Oil
• 熔点: 20 °C(lit.)
• 沸点: 182 °C(lit.)
• 闪点: 160 °C; 320 °F
• 密度: 1.331 g/mL at 25 °C
• 折射率: n20/D 1.472(lit.)
• 质量偏移: M+5

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 1

产品相关信息

• 同位素纯度: 98 atom % D
• 适用性: S & P tested
• Mol. Weight: mol wt 97.12 by atom % calculation
• 线性分子式: (HOCD2)2CDOH

详细说明

Sigma Aldrich - 661473

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 454524

包装
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - G598402

Labelled Glycerol (G598400). Glycerol is used both in sample preparation and gel formation for polyacrylamide gel electrophoresis. Glycerol (5-10%) increases the density of a sample so that the sample will layer at the bottom of a gel’s sample well. Glyce

参考文献

• Bartsch, W., et al.: Arzeim.-Forsch., 26, 1581 (1976)