(2R)-2-amino-4-(methylsulfanyl)butanoic acid

• ChemBase ID: 2604
• Molecular Formular: C5H11NO2S
• Molecular Mass: 149.21134
• Monoisotopic Mass: 149.0510496
• SMILES: CSCC[C@@H](N)C(=O)O
• Canonical SMILES: CSCC[C@H](C(=O)O)N
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
• InChIKey: FFEARJCKVFRZRR-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-4-(methylsulfanyl)butanoic acid
• IUPAC Traditional name: (l)-methionine; D-methionine
• Synonyms: (R)-2-Amino-4-(methylmercapto)butyric acid; D-Methionine; L-2-Amino-4-(methylthio)butanoic acid; L-Methionine 99%; D-2-Amino-4-(methylthio)butanoic acid; D-Methionine; (R)-2-Amino-4-(methylthio)butyric acid; H-D-Met-OH; D-蛋氨酸

Database IDs

• CAS Number: 63-68-3; 348-67-4
• EC Number: 206-483-6
• MDL Number: MFCD00063097; MFCD00002622
• Beilstein Number: 1722293
• Merck Index: 145975
• PubChem SID: 160966053; 24897327; 46505884
• PubChem CID: 84815

CALCULATED PROPERTIES

JChem

• Acid pKa: 2.531921
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1895034
• LogD (pH = 7.4): -2.1923122
• Log P: -2.1893265
• Molar Refractivity: 37.586 cm^3
• Polarizability: 15.069385 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -1.85
• LOG S: -0.8
• Solubility (Water): 2.39e+01 g/l

PROPERTIES

Physical Property

• Melting Point: 273°C; 284(dec.)°C; ca 280°C dec.
• Optical Rotation: [α]20/D -23.7±0.5°, c = 5% in 5 M HCl; -23 (c=2 in 2N HCl)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: PD0455000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~99%; ≥98% (TLC); ≥99.0% (NT); 97%; 99%
• Grade: puriss.
• Empirical Formula (Hill Notation): C5H11NO2S

DETAILS

MP Biomedicals - 02102278

Crystalline
Purity: ~99%

MP Biomedicals - 05214153

MP Biomedicals Rare Chemical collection

DrugBank - DB02893

Drug information: experimental

Sigma Aldrich - M9375

包装
5, 25 g in poly bottle
Biochem/physiol Actions
D-methionine has been shown to rescue noise-induced hearing loss.