2,3-dihydroxypropyl tetradecanoate

• ChemBase ID: 105956
• Molecular Formular: C17H34O4
• Molecular Mass: 302.44946
• Monoisotopic Mass: 302.24570957
• SMILES: CCCCCCCCCCCCCC(=O)OCC(O)CO
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(CO)O
• InChI: InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3
• InChIKey: DCBSHORRWZKAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydroxypropyl tetradecanoate
• IUPAC Traditional name: 2,3-dihydroxypropyl tetradecanoate
• Synonyms: 1-Monotetradecanoyl-rac-glycerol; rac-1-Myristoylglycerol; DL-α-Myristin; rac-Glycerol 1-myristate; Monomyristin; 1-MONOMYRISTOYL-rac-GLYCEROL

Database IDs

• CAS Number: 75685-84-6; 589-68-4
• MDL Number: MFCD00046760
• Beilstein Number: 1727502
• PubChem SID: 24886046; 162087648; 24896704
• PubChem CID: 79050

CALCULATED PROPERTIES

• Acid pKa: 13.619246
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.1929026
• LogD (pH = 7.4): 4.192902
• Log P: 4.1929026
• Molar Refractivity: 84.9055 cm^3
• Polarizability: 34.045204 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-70 °C

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~99%; ≥99%; ≥99.0% (GC)
• Linear Formula: H3C(CH2)12COOCH2CH(OH)CH2OH

DETAILS

MP Biomedicals - 02195330

Purity: ~99%
Monoglyceride Lipid

Sigma Aldrich - M1890

Biochem/physiol Actions
rac-Glycerol 1-myristate, a 1-monoglyceride of myristic acid, has antibacterial activity against several Gram-positive bacterial strains.

Sigma Aldrich - 70058

Biochem/physiol Actions
rac-Glycerol 1-myristate, a 1-monoglyceride of myristic acid, has antibacterial activity against several Gram-positive bacterial strains.