6-hydroxy-1-methyl-5-tetradecanoyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 183082
• Molecular Formular: C19H32N2O4
• Molecular Mass: 352.46838
• Monoisotopic Mass: 352.23620751
• SMILES: c1(n(c(=O)[nH]c(=O)c1C(=O)CCCCCCCCCCCCC)C)O
• Canonical SMILES: CCCCCCCCCCCCCC(=O)c1c(=O)[nH]c(=O)n(c1O)C
• InChI: InChI=1S/C19H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(22)16-17(23)20-19(25)21(2)18(16)24/h24H,3-14H2,1-2H3,(H,20,23,25)
• InChIKey: BMEXQCJUKXZUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydroxy-1-methyl-5-tetradecanoyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-hydroxy-1-methyl-5-tetradecanoyl-3H-pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164238992
• PubChem CID: 54704147

CALCULATED PROPERTIES

• Acid pKa: 6.1997185
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.93299
• LogD (pH = 7.4): 3.7842557
• Log P: 5.0120263
• Molar Refractivity: 107.0078 cm^3
• Polarizability: 37.882088 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds