2-hydroxy(1-13C)acetic acid

• ChemBase编号: 135357
• 分子式: C2H4O3
• 平均质量: 77.04401484
• 单一同位素质量: 77.01939883
• SMILES: C([13C](=O)O)O
• Canonical SMILES: OC[13C](=O)O
• InChI: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/i2+1
• InChIKey: AEMRFAOFKBGASW-VQEHIDDOSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxy(1-^1^3C)acetic acid
• IUPAC传统名: hydroxy(^1^3C)acetic acid
• 别名: 羟基乙酸-1-13C; 乙醇酸-1-13C; Hydroxyacetic acid-1-13C; Glycolic acid-1-13C

登记号

• MDL号: MFCD04118145
• PubChem SID: 162229631
• PubChem CID: 71309236

理论计算性质

• Acid pKa: 3.5263226
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.006948
• LogD (pH = 7.4): -4.40795
• Log P: -1.0405937
• 摩尔折射率: 14.3459 cm^3
• 极化性: 5.7668834 Å^3
• 极化表面积: 57.53 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 质量偏移: M+1

产品相关信息

• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 77.04 by atom % calculation
• 线性分子式: HOCH213CO2H

详细说明

Sigma Aldrich - 603953

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.