1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 102835
• Molecular Formular: C9H12N2O6
• Molecular Mass: 244.20138
• Monoisotopic Mass: 244.06953611
• SMILES: OCC1OC(C(O)C1O)n1ccc(=O)[nH]c1=O
• Canonical SMILES: OCC1OC(C(C1O)O)n1ccc(=O)[nH]c1=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]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: uridine; β-uridine
• Synonyms: 1-β-D-Ribofuranosyluracil; Uracil-1-β-D-ribofuranoside; URIDINE

Database IDs

• CAS Number: 58-96-8
• EC Number: 200-407-5
• MDL Number: MFCD00006526
• PubChem SID: 162090289
• PubChem CID: 1177

CALCULATED PROPERTIES

• Acid pKa: 9.700741
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -2.4152691
• LogD (pH = 7.4): -2.4173849
• Log P: -2.4152422
• Molar Refractivity: 52.5656 cm^3
• Polarizability: 20.901344 Å^3
• Polar Surface Area: 119.33 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%; 97%

DETAILS

MP Biomedicals - 02103216

Crystalline
Purity: ~99%