5-hydroxyimidazolidine-2,4-dione

• ChemBase ID: 170647
• Molecular Formular: C3H4N2O3
• Molecular Mass: 116.07546
• Monoisotopic Mass: 116.022192
• SMILES: C1(=O)NC(=O)C(N1)O
• Canonical SMILES: O=C1NC(C(=O)N1)O
• InChI: InChI=1S/C3H4N2O3/c6-1-2(7)5-3(8)4-1/h1,6H,(H2,4,5,7,8)
• InChIKey: WYLUZALOENCNQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxyimidazolidine-2,4-dione
• IUPAC Traditional name: 5-hydroxyimidazolidine-2,4-dione
• Synonyms: 5-Hydroxy-2,4-imidazolidinedione; 5-Hydroxyhydantoin

Database IDs

• CAS Number: 29410-13-7
• PubChem SID: 164226557
• PubChem CID: 4157426

CALCULATED PROPERTIES

• Acid pKa: 9.16564
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.7390529
• LogD (pH = 7.4): -1.7462624
• Log P: -1.7389601
• Molar Refractivity: 22.2445 cm^3
• Polarizability: 8.8596525 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Ethanol; Methanol; Water
• Apperance: White Solid
• Melting Point: 152-154°C

Safety Information

• Storage Condition: Refrigerator