(5S)-5-(hydroxymethyl)imidazolidine-2,4-dione

• ChemBase ID: 241111
• Molecular Formular: C4H6N2O3
• Molecular Mass: 130.10204
• Monoisotopic Mass: 130.03784206
• SMILES: N1C(=O)N[C@H](C1=O)CO
• Canonical SMILES: OC[C@@H]1NC(=O)NC1=O
• InChI: InChI=1S/C4H6N2O3/c7-1-2-3(8)6-4(9)5-2/h2,7H,1H2,(H2,5,6,8,9)/t2-/m0/s1
• InChIKey: CBRIRBXLTFAPOM-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-(hydroxymethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-(hydroxymethyl)imidazolidine-2,4-dione
• Synonyms: (5S)-5-(hydroxymethyl)imidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD01076168
• PubChem SID: 164297021
• PubChem CID: 22848083

CALCULATED PROPERTIES

• Acid pKa: 9.59174
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.928401
• LogD (pH = 7.4): -1.9311182
• Log P: -1.9283662
• Molar Refractivity: 27.0837 cm^3
• Polarizability: 10.641323 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.285

Product Information

• Purity: 95%