7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]heptanoic acid

• ChemBase编号: 103495
• 分子式: C20H36O5
• 平均质量: 356.49684
• 单一同位素质量: 356.25627425
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(O)C1CCCCCCC(=O)O
• Canonical SMILES: CCCCCC(/C=C/C1C(O)CC(C1CCCCCCC(=O)O)O)O
• InChI: InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)
• InChIKey: DZUXGQBLFALXCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]heptanoic acid
• IUPAC传统名: 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]heptanoic acid
• 别名: [9α,11α,13E,15S]-9,11,15-trihydroxy-prost-13-en-1-oic acid; PROSTAGLANDIN F_1α

登记号

• CAS号: 745-62-0
• PubChem SID: 162103299
• PubChem CID: 5353905

理论计算性质

• Acid pKa: 4.405127
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 1.8461213
• LogD (pH = 7.4): 0.08893106
• Log P: 2.972976
• 摩尔折射率: 99.354095 cm^3
• 极化性: 38.976833 Å^3
• 极化表面积: 97.99 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 99%
• 级别: NF

详细说明

MP Biomedicals - 02151963

Synthetic
White, crystalline solid
Purity: 99%