(R)-2-ヒドロキシ-3-メチルブタン酸

(-)-2-Hydroxy-3-methylbutyric acid

HCID 5289545

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 17407-56-6
標準SMILES: CC(C)[C@@H](O)C(=O)O
InChIKey: NGEWQZIDQIYUNV-SCSAIBSYSA-N
分子式: C5H10O3
平均分子量: 118.13 g/mol
単同位体質量: 118.06299418

名称と識別子

優先名称: (-)-2-Hydroxy-3-methylbutyric acid
IUPAC: (2R)-2-hydroxy-3-methylbutanoic acid
現地名: (R)-2-ヒドロキシ-3-メチルブタン酸
英語名: (2R)-2-Hydroxy-3-methylbutyric acid
分子式: C5H10O3
分子量: 118.13

名称と別名

17407-56-6(R)-2-hydroxy-3-methylbutanoic acidD-alpha-Hydroxyisovaleric acidButanoic acid, 2-hydroxy-3-methyl-, (2R)-(R)-2-hydroxyisovaleric acidd-2-hydroxyisovaleric acid2-Hydroxyisovaleric acid, (R)-(R)-(-)-2-Hydroxyisovaleric acid(-)-2-Hydroxy-3-methylbutyric acid(-)-2-Hydroxyisovaleric acid(-)-alpha-Hydroxyisovaleric acidIDC1ORH8V7

名称をさらに表示

[R,(-)]-2-ヒドロキシ-3-メチル酪酸(2R)-2-ヒドロキシイソ吉草酸(R)-2-ヒドロキシ-3-メチル酪酸(2R)-2-ヒドロキシ-3-メチル酪酸(R)-2-ヒドロキシ-3-メチルブタン酸D-Α-ヒドロキシイソ吉草酸EOS-60974D-Valic acid2-hydroxy-3-Methyl-d-α-hydroxyisovaleric acidD-a-Hydroxyisovaleric acidD-α-HYDROXYISOVALERIC ACID(2R)-2-Hydroxyisovaleric acidD-ALPHA-HYDROXYSOVALERIC ACID)

(2R)-3-Methyl-2-hydroxybutanoic acidButyric acid, 2-hydroxy-3-methyl-, D-Butanoic acid, 2-hydroxy-3-methyl-, (R)-RefChem:473464(2R)-2-hydroxy-3-methylbutanoic acid(R)-2-Hydroxy-3-methylbutyric acidDEAMINOHYDROXYVALINEMFCD00066442

データベース識別子

CAS: 17407-56-6
PubChem CID: 5289545
DTXSID: DTXSID001360093
ChEMBL: CHEMBL1162481
ChEBI: CHEBI:46415
UNII: IDC1ORH8V7
EC Number: 605-705-2
Nikkaji: J57.263B

物性

構造計算による物性

XLogP: 0.5
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 87

物理化学的性質

融点: 64 · 64-67 °C
沸点: 237.6 · 237.6±13.0 °C(Predicted)
比重(密度): 1.136 · 1.136±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): 3.87 · 3.87±0.16(Predicted)
外見: solid
BRN: 1721139 · 1721139
InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey: NGEWQZIDQIYUNV-SCSAIBSYSA-N
SMILES: C(O)(=O)[C@H](O)C(C)C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.