bis(dioxo-1,3-dioxa-2-neodymacyclopentan-2-yl) oxalate bis(dioxo-1,3-dioxa-2-praseodymacyclopentan-2-yl) oxalate

• ChemBase编号: 110211
• 分子式: C12Nd2O24Pr2
• 平均质量: 1098.4093
• 单一同位素质量: 1093.50870088
• SMILES: O=C(O[Pr]1OC(=O)C(=O)O1)C(=O)O[Pr]1OC(=O)C(=O)O1.O=C(O[Nd]1OC(=O)C(=O)O1)C(=O)O[Nd]1OC(=O)C(=O)O1
• Canonical SMILES: O=C(C(=O)O[Pr]1OC(=O)C(=O)O1)O[Pr]1OC(=O)C(=O)O1.O=C(C(=O)O[Nd]1OC(=O)C(=O)O1)O[Nd]1OC(=O)C(=O)O1
• InChI: InChI=1S/6C2H2O4.2Nd.2Pr/c6*3-1(4)2(5)6;;;;/h6*(H,3,4)(H,5,6);;;;/q;;;;;;4*+3/p-12
• InChIKey: OJRVQRXQNVDJNU-UHFFFAOYSA-B

名称和登记号

名称

• IUPAC标准名: bis(dioxo-1,3-dioxa-2-neodymacyclopentan-2-yl) oxalate bis(dioxo-1,3-dioxa-2-praseodymacyclopentan-2-yl) oxalate
• IUPAC传统名: bis(dioxo-1,3-dioxa-2-neodymacyclopentan-2-yl) oxalate bis(dioxo-1,3-dioxa-2-praseodymacyclopentan-2-yl) oxalate
• 别名: DIDYMIUM OXALATE

登记号

• PubChem SID: 162106344
• PubChem CID: 44135819

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.1442
• LogD (pH = 7.4): 4.1442
• Log P: 4.1442
• 摩尔折射率: 37.7502 cm^3
• 极化性: 29.100811 Å^3
• 极化表面积: 157.8 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05214125

MP Biomedicals Rare Chemical collection