(2S)-2-amino-4-methyl(5,5,5-2H3)pentanoic acid

• ChemBase ID: 135730
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: CC(C)C[C@@H](C(=O)O)N
• Canonical SMILES: N[C@H](C(=O)O)CC(C)C
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methyl(5,5,5-^2H₃)pentanoic acid
• IUPAC Traditional name: (2S)-2-amino-4-methyl(5,5,5-^2H₃)pentanoic acid
• Synonyms: L-Leucine-5,5,5-d3; SILAC Amino Acid; (2S)-2-Amino-4-methylpentanoic Acid-d3; (S)-(+)-Leucine-d3; (S)-2-Amino-4-methylpentanoic Acid-d3; (S)-2-Amino-4-methylvaleric Acid-d3; (S)-Leucine-d3; L-(+)-Leucine-d3; L-2-Amino-4-methylpentanoic Acid-d3; L-α-Aminoisocaproic Acid-d3; NSC 46709-d3; L-Leucine-d3; L-亮氨酸-5,5,5-d3

Database IDs

• CAS Number: 87828-86-2
• MDL Number: MFCD00144628
• PubChem SID: 24872215; 162230003
• PubChem CID: 11073472

CALCULATED PROPERTIES

• Acid pKa: 2.787709
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.58655
• LogD (pH = 7.4): -1.5889318
• Log P: -1.5861572
• Molar Refractivity: 34.1709 cm^3
• Polarizability: 13.835553 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White Solid
• Melting Point: >298°C (Sublime); >300 °C(lit.)
• Optical Rotation: [α]25/D +14.5°, c = 2 in 5 M HCl
• Mass Shift: M+3

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Isotopic Purity: 99 atom % D
• Suitability: S & P tested
• Mol. Weight: mol wt 134.17 by atom % calculation
• Linear Formula: CH3CH(CD3)CH2CH(NH2)CO2H

DETAILS

Sigma Aldrich - 486825

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 661554

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Toronto Research Chemicals - L330112

Labelled L-Leucine used as tracers to study human apolipoprotein B metabolism. L-Leucine is an essential amino acid. L-Leucine acts as a nutrient signal to stimulate protein synthesis. It has also activates the mammalian target of rapamycin kinase that re

REFERENCES

• Demant, T. et al.: Am. J. Physiol., 270, E1022 (1996)
• Diraison, F. et al.: Am. J. Physiol., 277, E529 (1996)
• Suryawan, A. et al.: J. Anim. Sci., 89, 2004 (1996)
• Peyrollier, K. et al.: Biochem. J., 350, 361 (1996)