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

• ChemBase编号: 104061
• 分子式: C20H32O5
• 平均质量: 352.46508
• 单一同位素质量: 352.22497412
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O
• Canonical SMILES: CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)O
• InChI: InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
• InChIKey: XEYBRNLFEZDVAW-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]hept-5-enoic acid
• IUPAC传统名: (-)-prostaglandin E2
• 别名: (5Z,8-iso,11α,13E,15(S))-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid; 8-iso PROSTAGLANDIN E2; [5Z,11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid; PROSTAGLANDIN E2 γ-IRRADIATED; PROSTAGLANDIN E2; 5Z,11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid; PROSTAGLANDIN E₂

登记号

• CAS号: 363-24-6
• EC号: 206-656-6
• PubChem SID: 162092424
• PubChem CID: 5353587

理论计算性质

• Acid pKa: 4.3033595
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 2.0038702
• LogD (pH = 7.4): 0.2647247
• Log P: 3.22527
• 摩尔折射率: 99.4351 cm^3
• 极化性: 38.188305 Å^3
• 极化表面积: 94.83 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 66°C

安全信息

• 保存条件: -20°C; -20°C, Desiccate
• RTECS编号: UK8000000
• 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 - 02195461

Synthetic
White to light yellow needles
Purity: 99%

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

MP Biomedicals - 02194577

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

MP Biomedicals - 02154324

((5Z,8-iso,11α,13E,15(S))-11,15- dihydroxy-9-oxoprosta-5,13-dien-1-oic acid) Purity: 99% White crystalline powder