(2R)-2,6-diaminohexanoic acid

• ChemBase ID: 2949
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: NCCCC[C@@H](N)C(=O)O
• Canonical SMILES: NCCCC[C@H](C(=O)O)N
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
• InChIKey: KDXKERNSBIXSRK-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2,6-diaminohexanoic acid
• IUPAC Traditional name: D-lysine
• Synonyms: D-Lysine; (R)-2,6-Diaminocaproic acid; D-Lysine; D-赖氨酸

Database IDs

• CAS Number: 923-27-3
• EC Number: 213-091-9
• MDL Number: MFCD00008234
• Beilstein Number: 1722530
• PubChem SID: 46506741; 24896491; 24882273; 160966396
• PubChem CID: 5962; 57449

CALCULATED PROPERTIES

JChem

• 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

ALOGPS 2.1

• Log P: -3.76
• LOG S: -0.14
• Solubility (Water): 1.05e+02 g/l

PROPERTIES

Physical Property

• Melting Point: 218 °C (dec.)(lit.); 220-225 °C (dec.)
• Optical Rotation: [α]20/D -15±2°, c = 1% in H2O

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥96.0% (dried material, NT); ≥98% (TLC)
• Grade: purum
• Impurities: ≤5% water
• Linear Formula: H2N(CH2)4CH(NH2)CO2H

DETAILS

DrugBank - DB03252

• Drug Groups: experimental
• Description: An essential amino acid. It is often added to animal feed. [PubChem]

Sigma Aldrich - L8021

包装
1, 5, 25 g in poly bottle