sodium 4-hydroxydecanoate

• ChemBase ID: 285190
• Molecular Formular: C10H19NaO3
• Molecular Mass: 210.24583
• Monoisotopic Mass: 210.12318875
• SMILES: C(=O)([O-])CCC(O)CCCCCC.[Na+]
• Canonical SMILES: CCCCCCC(CCC(=O)[O-])O.[Na+]
• InChI: InChI=1S/C10H20O3.Na/c1-2-3-4-5-6-9(11)7-8-10(12)13;/h9,11H,2-8H2,1H3,(H,12,13);/q;+1/p-1
• InChIKey: FWVUCKFBRRDBDW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 4-hydroxydecanoate
• IUPAC Traditional name: sodium 4-hydroxydecanoate
• Synonyms: sodium 4-hydroxydecanoate

Database IDs

• MDL Number: MFCD20731213
• PubChem SID: 180670721
• PubChem CID: 23699037

CALCULATED PROPERTIES

• Acid pKa: 4.706431
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3449029
• LogD (pH = 7.4): -0.43284264
• Log P: 2.2024522
• Molar Refractivity: 61.9842 cm^3
• Polarizability: 20.180878 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.827

Product Information

• Purity: 95%