(1,2,2,3,3,4,4,5,5,6,6,7,7,7-2H14)heptanal

• ChemBase编号: 169867
• 分子式: C7H14O
• 平均质量: 114.18546
• 单一同位素质量: 114.10446507
• SMILES: C(CCCCC=O)C
• Canonical SMILES: CCCCCCC=O
• InChI: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
• InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1,2,2,3,3,4,4,5,5,6,6,7,7,7-^2H₁₄)heptanal
• IUPAC传统名: (1,2,2,3,3,4,4,5,5,6,6,7,7,7-^2H₁₄)heptanal
• 别名: n-Heptanal-d14; n-Heptylaldehyde-d14; Heptanal-d14; Oenanthic Aldehyde-d14; Oenanthol-d14; n-Heptaldehyde-d14; 1-Heptaldehyde-d14; Enanthal-d14; Enanthaldehyde-d14; Enanthic Aldehyde-d14; Enanthole-d14; Heptaldehyde-d14; Heptanaldehyde-d14; Heptyl Aldehyde-d14; NSC 2190-d14; Oenanthal-d14; Oenanthaldehyde-d14

登记号

• PubChem SID: 162263999
• PubChem CID: 71317205

理论计算性质

• Acid pKa: 15.555637
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.0968485
• LogD (pH = 7.4): 2.0968485
• Log P: 2.0968485
• 摩尔折射率: 34.7492 cm^3
• 极化性: 13.697401 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H281142

Labelled Heptanal. Bioconversion of heptanal to heptanol by Saccharomyces cerevisiae and effect of C source maltose.

参考文献

• Compagno, C., et al.: Biotechnol. Bioeng., 42, 398 (1993)
• King, A., et al.: Yeast, 16, 499 (1993)
• Norouzian, D., et al.: Enzyme Microb. Technol., 33, 150 (1993)