3-(2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methyl-3-oxo-3-(prop-2-yn-1-yloxy)propoxy)-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methyl-3-oxopropyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

• ChemBase编号: 141585
• 分子式: C38H60O22
• 平均质量: 868.8698
• 单一同位素质量: 868.35762356
• 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)OCC#C
• Canonical SMILES: C#CCOC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C
• InChI: InChI=1S/C38H60O22/c1-9-10-54-29(51)36(6,19-59-30(52)37(7,21-55-25(47)32(2,11-39)12-40)22-56-26(48)33(3,13-41)14-42)20-60-31(53)38(8,23-57-27(49)34(4,15-43)16-44)24-58-28(50)35(5,17-45)18-46/h1,39-46H,10-24H2,2-8H3
• InChIKey: IBDJAKQCSBCQRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methyl-3-oxo-3-(prop-2-yn-1-yloxy)propoxy)-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methyl-3-oxopropyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• IUPAC传统名: 3-(2-{[(3-{[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methylpropanoyl)oxy]methyl}-2-methyl-3-oxo-3-(prop-2-yn-1-yloxy)propoxy)-2-({[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy}methyl)-2-methyl-3-oxopropyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
• 别名: 聚酯-8-羟基-1-乙炔双-MPA 枝状物，3 代; Dendron-G3-Acetylene-OH; Polyester-8-hydroxyl-1-acetylene bis-MPA dendron, generation 3

登记号

• MDL号: MFCD18426582
• PubChem SID: 162235819
• PubChem CID: 71310653

理论计算性质

• Acid pKa: 13.910654
• 质子受体: 15
• 质子供体: 8
• LogD (pH = 5.5): -2.5366573
• LogD (pH = 7.4): -2.5366576
• Log P: -2.5366573
• 摩尔折射率: 200.6646 cm^3
• 极化性: 80.59445 Å^3
• 极化表面积: 345.94 Å^2
• 可自由旋转的化学键: 35
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 100 °C; 212 °F

安全信息

• 保存温度: 2-8°C

产品相关信息

• 简要说明: hydroxyl surface groups
• Mol. Weight: generation 3
• 特征: focal point acetylene
• 表面基团个数: 8

详细说明

Sigma Aldrich - 686646

General description
分子量计算值868.9
Other Notes
bis-MPA 即 2,2-二羟甲基丙酸
包装
250 mg in glass bottle
Legal Information
Polymer Factory Sweden AB 生产。