1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one

• ChemBase ID: 105850
• Molecular Formular: C9H12N2O6
• Molecular Mass: 244.20138
• Monoisotopic Mass: 244.06953611
• SMILES: OCC1OC(C(O)C1O)n1ccc(O)nc1=O
• Canonical SMILES: OCC1OC(C(C1O)O)n1ccc(nc1=O)O
• InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)
• InChIKey: DRTQHJPVMGBUCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,2-dihydropyrimidin-2-one
• IUPAC Traditional name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyrimidin-2-one
• Synonyms: 1-β-D-Ribofuranosyluracil; URIDINE

Database IDs

• CAS Number: 58-96-8
• EC Number: 200-407-5
• PubChem SID: 162092615
• PubChem CID: 1177

CALCULATED PROPERTIES

• Acid pKa: 7.7340865
• H Acceptors: 7
• H Donor: 4
• LogD (pH = 5.5): -2.0540566
• LogD (pH = 7.4): -2.3828275
• Log P: -2.0477414
• Molar Refractivity: 52.8873 cm^3
• Polarizability: 20.86257 Å^3
• Polar Surface Area: 122.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YR1450000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: R:36/37/38
• Safety Statements: S:20-25-26-37/39

Product Information

• Purity: ~99%

DETAILS

MP Biomedicals - 02194763

Cell Culture Reagent
Crystalline
Purity: ~99%