(2S)-2-aminopentanedioic acid

• ChemBase编号: 135649
• 分子式: C5H9NO4
• 平均质量: 148.1226689
• 单一同位素质量: 148.05019267
• SMILES: C(CC(=O)O)[C@@H](C(=O)O)[15NH2]
• Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)[15NH2]
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i6+1
• InChIKey: WHUUTDBJXJRKMK-OGWWSMAPSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-aminopentanedioic acid
• IUPAC传统名: L-glutamic acid
• 别名: L-谷氨酸-15N,2,3,3,4,4-d5; L-谷氨酸-15N,d9; L-Glutamic acid-15N,2,3,3,4,4-d5; L-Glutamic acid-15N,d9; L-Glutamic acid-15N

登记号

• CAS号: 21160-87-2
• MDL号: MFCD00055786; MFCD08702931
• PubChem SID: 162229922; 24860033
• PubChem CID: 10942598

理论计算性质

• Acid pKa: 1.8777773
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.4458017
• LogD (pH = 7.4): -6.180975
• Log P: -3.241447
• 摩尔折射率: 31.2877 cm^3
• 极化性: 12.69048 Å^3
• 极化表面积: 100.62 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 205 °C ((dec.)); 205 °C (dec.)(lit.)
• 比旋光度: [α]25/D +31.0°, c = 2 in 5 M HCl
• 质量偏移: M+1; M+10

安全信息

• 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: 95% (CP)
• 同位素纯度: 97 atom % D; 98 atom % 15N; 98 atom % D
• Mol. Weight: mol wt 148.11 by atom % calculation; mol wt 152.98 by atom % calculation; mol wt 157.08 by atom % calculation
• 线性分子式: DO2C(CD2)2CD(15ND2)CO2D; HO2C(CH2)2CH(15NH)CO2H; HO2CCD2CD2CD(NH2)CO2H

详细说明

Sigma Aldrich - 643874

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.

Sigma Aldrich - 656771

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.

Sigma Aldrich - 332143

包装
100, 500 mg in glass bottle
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.