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S-2-羟基-3-甲基丁酸 | 17407-55-5

S-2-羟基-3-甲基丁酸
(S)-2-Hydroxy-3-methylbutyric Acid
17407-55-5
C5H10O3
118.1311
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:S-2-羟基-3-甲基丁酸结构式
853180
名称和标识符
MDL MFCD00066443
InChIKey NGEWQZIDQIYUNV-BYPYZUCNSA-N
Inchi 1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1
SMILES O([H])[C@]([H])(C(=O)O[H])C([H])(C([H])([H])[H])C([H])([H])[H]
BRN 1721140
别名信息
- 中文别名 -
  • S-2-羟基-3-甲基丁酸
  • (S)-2-羟基-3-甲基丁酸
  • (S)-(+)-2-羟基-3-甲基丁酸
  • 2,4,6-三苯基吡喃四氟化硼盐
  • 4-(3-噻吩基)苄腈
  • L-α-羟基异戊酸
  • L-Alpha-羟基异戊酸
  • S-(+)-2-羟基-3-甲基丁酸
  • (S)-(+)-2-羟基-3-甲基丁酸, >=98.0% (T)
  • L-Α-羟基异戊酸
- 英文别名 -
  • (S)-2-Hydroxy-3-methylbutanoic acid
  • (2R)-2-Hydroxy-3-methylbutanoic acid
  • (S)-(+)-2-HYDROXY-3-METHYLBUTYRIC ACID
  • L-α-Hydroxyisovaleric acid
  • (S)-(+)-2-Hydroxy-3-Methylbutanoic acid
  • (S)-(+)-2-Hydroxyisovaleric acid
  • (S)-2-Hydroxy-3-methylbutyric acid
  • (S)-2-Hydroxyisovaleric acid
  • (S)-alpha-Hydroxyisovaleric acid
  • L-2-Hydroxy-3-methylbutyric acid
  • L-2-Hydroxyisovaleric acid
  • L-Valic acid
  • (S)-(+)-2-Hydroxy-3-
  • L-a-Hydroxyisovaleric acid
  • (2S)-2-Hydroxyisovaleric acid
  • L-ALPHA-HYDROXYISOVALERIC ACID
  • 2-HYDROXY-3-METHYLBUTYRIC ACID
  • 3-METHYL-2-HYDROXY-BUTANOIC ACID
  • (2S)-2-hydroxy-3-methylbutanoic acid
  • Butanoic acid, 2-hydroxy-3-methyl-, (2S)-
  • L--Hydroxyisovaleric acid
  • RUB6H7ST9K
  • 2-hydroxy-3-methyl-butyric acid
  • 2S-hydroxy-3-methyl-butanoic acid
  • 2-hydroxy-3-methyl-(S)-(+)-butyric acid
  • (S
  • l-α-hydroxyisovaleric acid
  • 2-Hydroxyisovaleric acid, (S)-
  • (+)-2-hydroxy-3-methylbutyric acid
  • Butanoic acid, 2-hydroxy-3-methyl-, (S)-
  • A811610
  • (S)-.ALPHA.-HYDROXYISOVALERIC ACID
  • (+/-)-Hydroxyisovaleric acid
  • SCHEMBL361488
  • L-2-hydroxy-3-methylbutyric acid
  • LMFA01050390
  • L-.ALPHA.-HYDROXYISOVALERIC ACID
  • (S)-(+)-2-Hydroxy-3-methylbutyric acid
  • L-(+)-alpha-hydroxyisovaleric acid
  • 2-(S)-hydroxyl-3-methyl-butyric acid
  • (S)-2-Hydroxy-3-methylbutanoicacid
  • (s)-a-hydroxyisovaleric acid
  • L-(+)-2-hydroxyisovaleric acid
  • AKOS005255006
  • NGEWQZIDQIYUNV-BYPYZUCNSA-N
  • (S)-()-2-Hydroxy-3-methylbutyric acid
  • DS-8456
  • (S)-(+)-2-Hydroxy-3-methylbutyric acid, 99%, optical purity ee: 99% (GLC)
  • Butyric acid, 2-hydroxy-3-methyl-, (l)-
  • Q27128222
  • (S)-2-hydroxy-3-methyl-butyric acid
  • UNII-RUB6H7ST9K
  • (S)-(+)-2-Hydroxy-3-methylbutyric acid, 95%
  • (s)-2-hydroxyisovaleric acid
  • CHEBI:60631
  • (+)-.ALPHA.-HYDROXYISOVALERIC ACID
  • MFCD00066443
  • 17407-55-5
  • (S)-(+)-2-hydroxy-3-methylbutanoic acid
  • (S)-2-hydroxy-3-methylbutyric acid
  • BDBM50412187
  • (S)-2-hydroxy-3-mehtylbutyric acid
  • (2S)-(+)-2-Hydroxy-3-methylbutanoic acid
  • L-2-hydroxyisovaleric acid
  • CHEMBL1162480
  • 2-(S)hydroxyl-3-methyl-butyric acid
  • EN300-199359
  • SR-01000946764
  • (+)-2-Hydroxyisovaleric acid
  • CS-0000171
  • SR-01000946764-1
  • bmse000570
  • HMS3650C07
  • J-010968
  • (+)-alpha-Hydroxyisovaleric acid
  • L-alpha-Hydroxyisovaleric acid
物化性质
实验特性
LogP 0.08790
PSA 57.53000
折射率 1.4641 (estimate)
沸点 124-125 °C/13 mmHg(lit.)
熔点 68-70 °C (lit.)
闪点 112 ºC
颜色与性状 不确定
溶解性 不确定
比旋光度 18° (c=1, CHCl3)
光学活性 [α]20/D +19°, c = 1 in chloroform
密度 1.136
计算特性
精确分子量 118.06300
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 2
同位素质量 118.062994177g/mol
重原子数量 8
复杂度 87.7
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
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) 0.5
表面电荷 0
拓扑分子极性表面积 57.5
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%

相关文献
专业数据库参考
PubChemId 853180
参考资料
Beilstein 1721140
化合物详情(旧版)

SMILES

CC(C)[C@@H](O)C(O)=O

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