3-[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]-2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methylpropanoic acid

• ChemBase编号: 140869
• 分子式: C35H58O22
• 平均质量: 830.82182
• 单一同位素质量: 830.3419735
• SMILES: CC(CO)(CO)C(=O)OCC(C)(COC(=O)C(C)(CO)CO)C(=O)OCC(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)O
• Canonical SMILES: OCC(C(=O)OCC(C(=O)OCC(C(=O)O)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(CO)(CO)C)C)(CO)C
• InChI: InChI=1S/C35H58O22/c1-29(8-36,9-37)23(46)54-18-34(6,19-55-24(47)30(2,10-38)11-39)27(50)52-16-33(5,22(44)45)17-53-28(51)35(7,20-56-25(48)31(3,12-40)13-41)21-57-26(49)32(4,14-42)15-43/h36-43H,8-21H2,1-7H3,(H,44,45)
• InChIKey: CSKGZAJBJPVHFW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]-2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methylpropanoic acid
• IUPAC传统名: 3-[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]-2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methylpropanoic acid
• 别名: 聚酯-8-羟基-1-羧基双-MPA 枝状物，3 代; Dendron-G3-Carboxyl-OH; Polyester-8-hydroxyl-1-carboxyl bis-MPA dendron, generation 3

登记号

• PubChem SID: 162235107
• PubChem CID: 71310540

理论计算性质

• Acid pKa: 3.4861565
• 质子受体: 16
• 质子供体: 9
• LogD (pH = 5.5): -4.915614
• LogD (pH = 7.4): -6.290108
• Log P: -2.9106345
• 摩尔折射率: 188.3153 cm^3
• 极化性: 75.99057 Å^3
• 极化表面积: 356.94 Å^2
• 可自由旋转的化学键: 33
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: powder (lyophilized)
• 闪点: 100 °C; 212 °F

安全信息

• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97%
• 简要说明: hydroxyl surface groups
• Mol. Weight: generation 3
• 特征: focal point carboxylic acid
• 表面基团个数: 8
• Empirical Formula (Hill Notation): C35H58O22

详细说明

Sigma Aldrich - 686670

Application
Polymer Factory Sweden AB 生产。
General description
分子量计算值831
可溶于多种极性溶剂，如 DMF、甲醇和水。
Other Notes
bis-MPA 即 2,2-二羟甲基丙酸
包装
250 mg in glass bottle