2-amino-2-(hydroxymethyl)propane-1,3-diol; 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid

• ChemBase编号: 105813
• 分子式: C24H45NO8
• 平均质量: 475.616
• 单一同位素质量: 475.31451741
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(O)C1C/C=C/CCCC(=O)O.NC(CO)(CO)CO
• Canonical SMILES: OCC(CO)(CO)N.CCCCCC(/C=C/C1C(O)CC(C1C/C=C/CCCC(=O)O)O)O
• InChI: InChI=1S/C20H34O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2
• InChIKey: IYGXEHDCSOYNKY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid
• IUPAC传统名: 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid; tris buffer
• 别名: PROSTAGLANDIN F2α TRIS SALT; PGF₂α; PROSTAGLANDIN F2α TRIS SALT (TROMETHAMINE)

登记号

• CAS号: 38562-01-5
• EC号: 254-002-3
• PubChem SID: 162092671
• PubChem CID: 12877416

理论计算性质

• Acid pKa: 4.355294
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): 1.4380769
• LogD (pH = 7.4): -0.31100234
• Log P: 2.6110544
• 摩尔折射率: 100.4707 cm^3
• 极化性: 38.732555 Å^3
• 极化表面积: 97.99 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 102-103°C; 41-43°C

安全信息

• 保存条件: -20°C
• RTECS编号: UK8025000
• 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 - 02195462

White crystalline powder
Tris Salt (Tromethamine)
Purity: ~99%

MP Biomedicals - 02194579

Cell Culture Reagent
Tris Salt (Tromethamine)
White crystalline powder
Purity: ~99%

MP Biomedicals - 02194578

Tris Salt (Tromethamine)
Cell Culture Reagent
γ-Irradiated
White crystalline powder
Purity: ~99%