2-amino-5-phosphonopentanoic acid

• ChemBase编号: 103940
• 分子式: C5H12NO5P
• 平均质量: 197.126241
• 单一同位素质量: 197.04530912
• SMILES: NC(CCCP(=O)(O)O)C(=O)O
• Canonical SMILES: OC(=O)C(CCCP(=O)(O)O)N
• InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
• InChIKey: VOROEQBFPPIACJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-5-phosphonopentanoic acid
• IUPAC传统名: 5-phosphono-DL-norvaline; 2-amino-5-phosphovaleric acid
• 别名: 5-膦酰基-DL-正缬氨酸; DL-5-膦酰正缬氨酸; DL-2-氨基-5-膦酰基缬草酸; DL-2-氨基-5-膦酰基缬草酸; APV; DL-5-Phosphononorvaline; DL-2-Amino-5-phosphonovaleric acid; AP-5; DL-2-Amino-5-phosphono-valeric acid; 5-Phosphono-DL-norvaline; (±)-2-AMINO-5-PHOSPHONO-PENTANOIC ACID; DL-2-Amino-5-phosphonovaleric acid; DL-2-Amino-5-phosphonopentanoic acid

登记号

• CAS号: 76326-31-3
• MDL号: MFCD00010515
• Beilstein号: 2446389
• PubChem SID: 162091058; 24277950
• PubChem CID: 1216

理论计算性质

• Acid pKa: 1.6680644
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -5.8741164
• LogD (pH = 7.4): -6.5600853
• Log P: -3.2310975
• 摩尔折射率: 40.5915 cm^3
• 极化性: 16.462873 Å^3
• 极化表面积: 120.85 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

• 溶解度: 0.1 M NaOH: soluble4 mg/mL; 1 M NH4OH: soluble50 mg/mL, clear, colorless; H2O: soluble5.6 mg/mL; organic solvents: insoluble
• 外观: white solid

安全信息

• 保存条件: Room Temperature (15-30°C), Protect from light
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: rat ... Grik1(29559), Grin2a(24409), Grin2b(24410)

产品相关信息

• 纯度: ≥98.0% (TLC); 98%
• Empirical Formula (Hill Notation): C5H12NO5P

详细说明

MP Biomedicals - 02153639

Potent NMDA antagonist

Sigma Aldrich - A5282

Biochem/physiol Actions
Anticonvulsant; potent and selective NMDA receptor antagonist.
Caution
Hygroscopic

Sigma Aldrich - 09248

Biochem/physiol Actions
Anticonvulsant; potent and selective NMDA receptor antagonist.
Other Notes
Potent, selective antagonist for NMDA receptors1