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

• ChemBase ID: 110211
• Molecular Formular: C12Nd2O24Pr2
• Molecular Mass: 1098.4093
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxo-1,3-dioxa-2-neodymacyclopentan-2-yl) oxalate bis(dioxo-1,3-dioxa-2-praseodymacyclopentan-2-yl) oxalate
• IUPAC Traditional name: bis(dioxo-1,3-dioxa-2-neodymacyclopentan-2-yl) oxalate bis(dioxo-1,3-dioxa-2-praseodymacyclopentan-2-yl) oxalate
• Synonyms: DIDYMIUM OXALATE

Database IDs

• PubChem SID: 162106344
• PubChem CID: 44135819

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1442
• LogD (pH = 7.4): 4.1442
• Log P: 4.1442
• Molar Refractivity: 37.7502 cm^3
• Polarizability: 29.100811 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05214125

MP Biomedicals Rare Chemical collection