(2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide

• ChemBase编号: 75183
• 分子式: C8H16N2O4
• 平均质量: 204.22364
• 单一同位素质量: 204.111007
• SMILES: N(C(=O)[C@@H](O)[C@@H](O)C(=O)N(C)C)(C)C
• Canonical SMILES: O[C@H]([C@@H](C(=O)N(C)C)O)C(=O)N(C)C
• InChI: InChI=1S/C8H16N2O4/c1-9(2)7(13)5(11)6(12)8(14)10(3)4/h5-6,11-12H,1-4H3/t5-,6+
• InChIKey: PCYDYHRBODKVEL-OLQVQODUSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• IUPAC传统名: (2R,3S)-2,3-dihydroxy-N,N,N',N'-tetramethylbutanediamide
• 别名: N,N,N',N'-Tetramethyl-D-tartramide; (2R,3R)-2,3-Dihydroxy-N,N,N',N'-tetramethylsuccinamide; N,N,N',N'-Tetramethyl-L-tartramide

登记号

• CAS号: 63126-52-3; 26549-65-5
• MDL号: MFCD00077879; MFCD00025672
• PubChem SID: 162040101
• PubChem CID: 6999256

理论计算性质

• Acid pKa: 11.674234
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.5479813
• LogD (pH = 7.4): -2.548004
• Log P: -2.5479808
• 摩尔折射率: 49.4446 cm^3
• 极化性: 19.263136 Å^3
• 极化表面积: 81.08 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true