[(2-13C)propanoyloxy]zincio (2-13C)propanoate

• ChemBase编号: 135249
• 分子式: C6H10O4Zn
• 平均质量: 213.50650968
• 单一同位素质量: 211.99376048
• SMILES: C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
• Canonical SMILES: C[13CH2]C(=O)O[Zn]OC(=O)[13CH2]C
• InChI: InChI=1S/2C3H6O2.Zn/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2/i2*2+1
• InChIKey: XDWXRAYGALQIFG-PKOMNEFASA-L

名称和登记号

名称

• IUPAC标准名: [(2-^1^3C)propanoyloxy]zincio (2-^1^3C)propanoate
• IUPAC传统名: [(2-^1^3C)propanoyloxy]zincio (2-^1^3C)propanoate
• 别名: 丙酸锌-2-13C,3,3,3-d3; Zinc propionate-2-13C,3,3,3-d3

登记号

• MDL号: MFCD04118211
• PubChem SID: 162229524
• PubChem CID: 71309176

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.393
• LogD (pH = 7.4): 0.393
• Log P: 0.393
• 摩尔折射率: 32.686 cm^3
• 极化性: 16.923458 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 质量偏移: M+8

产品相关信息

• 同位素纯度: 99 atom % 13C; 99 atom % D
• Mol. Weight: mol wt 219.47 by atom % calculation
• 线性分子式: Zn(CD313CH2CO2)2

详细说明

Sigma Aldrich - 607436

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.