(2S)-2,6-diamino(3,3,4,4,5,5,6,6-2H8)hexanoic acid hydrochloride

• ChemBase ID: 136175
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C([C@@H](C(=O)O)N)CCCN.Cl
• Canonical SMILES: NCCCC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
• InChIKey: BVHLGVCQOALMSV-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diamino(3,3,4,4,5,5,6,6-^2H₈)hexanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2,6-diamino(3,3,4,4,5,5,6,6-^2H₈)hexanoic acid hydrochloride
• Synonyms: L-Lysine-3,3,4,4,5,5,6,6-d8 hydrochloride; L-赖氨酸-3,3,4,4,5,5,6,6-d8 盐酸盐

Database IDs

• MDL Number: MFCD01074062
• PubChem SID: 162230446
• PubChem CID: 71309642

CALCULATED PROPERTIES

• Acid pKa: 2.7382863
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.9555907
• LogD (pH = 7.4): -4.978252
• Log P: -3.2145348
• Molar Refractivity: 37.8095 cm^3
• Polarizability: 15.365045 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263-264 °C (dec.)(lit.)
• Mass Shift: M+8

Safety Information

• German water hazard class: 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 190.54 by atom % calculation
• Linear Formula: H2N(CD2)4CH(NH2)CO2H · HCl

DETAILS

Sigma Aldrich - 616214

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.