(2R)-2,5-diaminopentanoic acid hydrochloride

• ChemBase编号: 102667
• 分子式: C5H13ClN2O2
• 平均质量: 168.62192
• 单一同位素质量: 168.06655535
• SMILES: Cl.NCCC[C@@H](N)C(=O)O
• Canonical SMILES: N[C@@H](C(=O)O)CCCN.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m1./s1
• InChIKey: GGTYBZJRPHEQDG-PGMHMLKASA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2,5-diaminopentanoic acid hydrochloride
• IUPAC传统名: L-(-)-ornithine hydrochloride; D-ornithine hydrochloride
• 别名: (R)-(-)-2,5-二氨基戊酸 盐酸盐; D-2,5-二氨基戊酸 单盐酸盐; (R)-2,5-二氨基戊酸 单盐酸盐; D-鸟氨酸 单盐酸盐; (R)-(-)-2,5-Diaminopentanoic acid hydrochloride; (R)-2,5-Diaminopentanoic acid monohydrochloride; D-2,5-Diaminopentanoic acid monohydrochloride; (R)-Ornithine hydrochloride; (R)-2,5-Diaminopentanoic Acid Hydrochloride; D-Ornithine Monohydrochloride; D-(-)-Ornithine Monohydrochloride; (D)-α,δ-Diaminovaleric Acid; 5-Amino-D-norvaline; D-Ornithine monohydrochloride; D-2,5-Diaminopentanoic acid hydrochloride; D-ORNITHINE HYDROCHLORIDE

登记号

• CAS号: 16682-12-5
• EC号: 240-729-3
• MDL号: MFCD00012917
• Beilstein号: 4153339
• PubChem SID: 24886832; 24898012; 162090281
• PubChem CID: 443122

理论计算性质

• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -6.399376
• LogD (pH = 7.4): -5.4160175
• Log P: -3.6582875
• 摩尔折射率: 33.2085 cm^3
• 极化性: 13.533871 Å^3
• 极化表面积: 89.34 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true
• Acid pKa: 2.6664226

分子性质

理化性质

• 熔点: 239 °C (dec.)(lit.)
• 比旋光度: [α]20/D -23.5±0.5°, c = 5% in 5 M HCl; [α]22/D -21.8°, c = 2 in 5 M HCl

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~98%; ~99%; ≥99.0% (AT); 98%
• 级别: puriss.
• 光学纯度: ee: 96% (GLC)
• 线性分子式: H2N(CH2)3CH(NH2)CO2H · HCl
• Empirical Formula (Hill Notation): C5H12N2O2 · HCl

详细说明

MP Biomedicals - 02102514

Hydrochloride
Crystalline
Purity: ~99%

Sigma Aldrich - O5250

Biochem/physiol Actions
D-Ornithine cleave proteins at cysteine residues.

Toronto Research Chemicals - O695545

The D-enatiomer and putative metabolite of the non-essential amino acid L-Orthinine. Stress response studies show intracerebroventricular D-Ornithine Hydrochloride weakly attenuated stress response in neonatal chick under acute stressful condition.

参考文献

• Kurauchi, I. et al.: J. Animal Vet. Adv., 8, 2580 (2009)