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2-异丙基苹果酸 | 3237-44-3

2-异丙基苹果酸结构式图片|3237-44-3结构式图片
2-异丙基苹果酸
α-Isopropylmalate
3237-44-3
C7H12O5
176.16718
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-异丙基苹果酸结构式
24860103
2-异丙基苹果酸价格
简介
α-Isopropylmalate (α-IPM) 是酵母中的亮氨酸生物合成前体。
名称和标识符
MDL MFCD00075003
InChIKey BITYXLXUCSKTJS-UHFFFAOYSA-N
Inchi InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
SMILES OC(C(C)C)(CC(O)=O)C(O)=O
别名信息
- 中文别名 -
  • 2-异丙基苹果酸
  • 2-羟基-2-异丙基琥珀酸
  • alpha-异丙基苹果酸
- 英文别名 -
  • Butanedioic acid,2-hydroxy-2-(1-methylethyl)-
  • 2-HYDROXY-2-ISOPROPYLSUCCINIC ACID
  • 2-ISOPROPYLMALIC ACID
  • 2-Hydroxy-2-isopropyl-bernsteinsaeure
  • 2-Hydroxy-2-isopropylbutanedioic acid
  • 2-hydroxy-2-isopropyl-succinic acid
  • 2-Isopropyl-2-hydroxybutanedioic acid
  • 3-Carboxy-3-hydroxyisocaproic acid
  • alpha-Isopropylmalate
  • α-Isopropylmalate
  • 2-Isopropylmalic acid
  • .ALPHA.-ISOPROPYLMALATE
  • beta-hydroxy-beta-carboxy-isocaproic acid
  • alpha-IPM
  • Malic acid, 2-isopropyl-
  • 3-carboxy-3-hydroxy-4-methylpentanoate
  • SB84200
  • Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-
  • 2-HYDROXY-2-ISOPROPYLSUCCINICACID
  • 3237-44-3
  • AKOS030570175
  • 2-Hydroxy-2-(1-methylethyl)butanedioic acid
  • A7T9UY4KVU
  • bmse001025
  • alpha-isopropylmalate
  • 3-hydroxy-4-methyl-3-carboxypentanoate
  • bmse000982
  • NS00014675
  • butanedioic acid, 2-hydroxy-2-(1-methylethyl)
  • 3-carboxy-3-hydroxyisocaproic acid
  • 2-hydroxy-2-(propan-2-yl)butanedioic acid
  • 2-Isopropylmalic acid, 98%
  • DTXSID70863129
  • Q15426256
  • AS-81339
  • SCHEMBL59972
  • 3-carboxy-3-hydroxy-4-methylpentanoic acid
  • CS-0226996
  • HY-N9960
  • UNII-A7T9UY4KVU
  • CHEBI:28635
  • CD7B7575-5C65-4347-9BAC-D899775FC34D
  • J-018719
  • 2-hydroxy-2-propan-2-ylbutanedioic acid
  • alpha-isopropylmalic acid
  • F83120
  • 2-hydroxy-2-isopropylsuccinic acid
  • 2-isopropylmalate
物化性质
实验特性
LogP -0.06720
PSA 94.83000
沸点 306.4±27.0 °C at 760 mmHg
熔点 144-146 °C (lit.)
闪点 Not available
溶解度 易溶 (170 g/L) (25 ºC),
颜色与性状 未确定
溶解性 未确定
密度 1.342±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 176.06800
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 4
同位素质量 176.06847348g/mol
重原子数量 12
复杂度 198
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -0.2
互变异构体数量
表面电荷 0
拓扑分子极性表面积 94.8Ų
海关数据
海关编码 2918199090
海关数据

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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专业数据库参考
PubChemId 24860103
化合物详情(旧版)

SMILES

OC(=O)CC(C(C)C)(O)C(O)=O

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