7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]heptanoic acid

• ChemBase编号: 105812
• 分子式: C20H34O5
• 平均质量: 354.48096
• 单一同位素质量: 354.24062419
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(=O)O
• Canonical SMILES: CCCCCC(/C=C/C1C(O)CC(=O)C1CCCCCCC(=O)O)O
• InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)
• InChIKey: GMVPRGQOIOIIMI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]heptanoic acid
• IUPAC传统名: (-)-prostaglandin E1
• 别名: PROSTAGLANDIN E₁; 11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-13-en-1-oic acid; PROSTAGLANDIN E1 γ-IRRADIATED

登记号

• CAS号: 745-65-3
• EC号: 212-017-2
• PubChem SID: 162086858
• PubChem CID: 5353401

理论计算性质

• Acid pKa: 4.353232
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 2.4122984
• LogD (pH = 7.4): 0.6635846
• Log P: 3.5871918
• 摩尔折射率: 98.3185 cm^3
• 极化性: 38.432873 Å^3
• 极化表面积: 94.83 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C
• RTECS编号: GY4569800
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 危险公开号: R:22
• 安全公开号: S:36/37/39

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02195460

Synthetic White to light yellow needles Purity: 99%

MP Biomedicals - 02194575

Cell Culture Reagent Synthetic White to light yellow needles Purity: 99%

MP Biomedicals - 02194574

Cell Culture Reagent
γ-Irradiated
Synthetic
White to light yellow needles
Purity: 99%