(2S)-2,6-diamino(4,4,5,5-2H4)hexanoic acid hydrochloride

• ChemBase编号: 139698
• 分子式: C6H15ClN2O2
• 平均质量: 182.6485
• 单一同位素质量: 182.08220541
• SMILES: C(C[C@@H](C(=O)O)N)CCN.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

名称和登记号

名称

• IUPAC标准名: (2S)-2,6-diamino(4,4,5,5-^2H₄)hexanoic acid hydrochloride
• IUPAC传统名: (2S)-2,6-diamino(4,4,5,5-^2H₄)hexanoic acid hydrochloride
• 别名: L-赖氨酸-4,4,5,5-d4 盐酸盐; (S)-2,6-Diaminocaproic acid-4,4,5,5-d4 hydrochloride; Deuterated Lys; Deuterated lysine; SILAC Amino Acid; L-Lysine-4,4,5,5-d4 hydrochloride

登记号

• MDL号: MFCD01074061
• PubChem SID: 162233946
• PubChem CID: 71310290

理论计算性质

• Acid pKa: 2.7382863
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -5.9555907
• LogD (pH = 7.4): -4.978252
• Log P: -3.2145348
• 摩尔折射率: 37.8095 cm^3
• 极化性: 15.365045 Å^3
• 极化表面积: 89.34 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 263-264 °C (dec.)(lit.)
• 比旋光度: [α]25/D +20.7°, c = 2 in 5 M HCl
• 质量偏移: M+4

安全信息

• 德国WGK号: 3

产品相关信息

• 纯度: 98% (CP)
• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 186.59 by atom % calculation
• 线性分子式: H2NCH2(CD2)2CH2CH(NH2)CO2H · HCl

详细说明

Sigma Aldrich - 616192

包装
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.