CAS 13748-90-8 Leucic acid, L- (HCID 83697)

概要

(S)-2-hydroxy-4-methylpentanoic acid is the (S)-enantiomer of 2-hydroxy-4-methylpentanoic acid. Derived from the metabolism of the branched-chain amino acids, it belongs to the 2-hydroxycarboxylic acid group of amino acid metabolites. It is a (2S)-2-hydroxy monocarboxylic acid and a 2-hydroxy-4-methylvaleric acid. It is an enantiomer of a (R)-2-hydroxy-4-methylpentanoic acid.

名称と識別子

優先名称: Leucic acid, L-
IUPAC: (2S)-2-hydroxy-4-methylpentanoic acid
現地名: L-ロイシン酸
英語名: L-Leucic acid
分子式: C6H12O3
分子量: 132.16

名称と別名

L-Leucic acidPentanoic acid, 2-hydroxy-4-methyl-, (2S)-Leucic acid, L-L-2-Hydroxy-4-methylvaleric acid6B33FPI2OZEINECS 237-329-6NSC-152493LEUCIC ACID, (S)-LEUCIC ACID, (+)-DTXSID80884643NSC 152493RefChem:798974

名称をさらに表示

L-ロイシン酸ロイシン酸(2S)-2-ヒドロキシ-4-メチル吉草酸(S)-2-ヒドロキシ-4-メチル吉草酸(+)-ロイシン酸(S)-4-メチル-2-ヒドロキシ吉草酸[S,(+)]-2-ヒドロキシ-4-メチル吉草酸(S)-2-ヒドロキシ-4-メチルペンタン酸(2S)-2-ヒドロキシ-4-メチルペンタン酸Ｌ-α-ヒドロキシイソカプロン酸2-HYDROXY-3-METHYLPENTANOIC ACIDLEUCIC ACIDHydroxyisocaproic acid2-HYDROXY-3-METHYLVALERIC ACID(s)-pentanoicaciL-a-Hydroxyisocaproic acid(S)-(-)-2-HYDROXYISOCAPROIC ACIDL-HICA

DTXCID60102407313748-90-8(S)-2-hydroxy-4-methylpentanoic acid(2S)-2-hydroxy-4-methylpentanoic acid(S)-leucic acidL-alpha-HYDROXYISOCAPROIC ACIDMFCD00064214L-2-hydroxyisocaproic acid

データベース識別子

CAS: 13748-90-8
PubChem CID: 83697
DTXSID: DTXSID80884643
ChEBI: CHEBI:44510
UNII: 6B33FPI2OZ
EC Number: 237-329-6
Nikkaji: J84.592B

物性

構造計算による物性

XLogP: 0.9
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: 3
重原子数: 9
形式電荷: 0
複雑度: 98.5

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

LogP0.710

Melting Point78 - 80 °C

Physical DescriptionSolid

Collision Cross Section126.06 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

物理化学的性質

融点: 78 · 78-80 °C(lit.)
沸点: 277.83 °C · 277.83°C (rough estimate)
比重(密度): 1.016 · 1.0160 (rough estimate)
屈折率: -26 ° · -26 ° (C=2, 1 %NaOH)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 水性ベース（わずかに）、DMSO（少量）、水（わずかに）
酸解離定数(Pka): 3.86 · 3.86±0.21(Predicted)
外見: 個体
色: ホワイトからオフホワイト
水溶解度: ほとんど透明
InChI: InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey: LVRFTAZAXQPQHI-YFKPBYRVSA-N
SMILES: C(O)(=O)[C@@H](O)CC(C)C
LogP: 0.71 · 0.710
CAS データベース: 13748 · 13748-90-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · Pentanoic acid, 2-hydroxy-4-methyl-, (2S)- (13748-90-8)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPentanoic acid, 2-hydroxy-4-methyl-, (2S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29181990
化審法: (2)-1340
safety_code: 24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

General Manufacturing InformationPentanoic acid, 2-hydroxy-4-methyl-, (2S)-: INACTIVE

応用分野

使用L-Leucic Acid is a reagent in the synthesis of cryptophycins based macrocyclic depsipeptides which are used as tubulin inhibitors.

上流・下流製品情報

上流原料

下流製品

(R)-2-ヒドロキシ-4-メチルペンタン酸 (R)-2-メチル-3-アミノプロピオン酸

サプライヤー100 社

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武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

補足説明

定義ChEBI: The (S)-enantiomer of 2-hydroxy-4-methylpentanoic acid. Derived from the metabolism of the branched-chain amino acids, it belongs to the 2-hydroxycarboxylic acid group of amino acid metabolites.