2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oic acid

• ChemBase ID: 141769
• Molecular Formular: C26H52O14
• Molecular Mass: 588.68268
• Monoisotopic Mass: 588.33570634
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
• Canonical SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
• InChI: InChI=1S/C26H52O14/c1-29-4-5-31-8-9-33-12-13-35-16-17-37-20-21-39-24-25-40-23-22-38-19-18-36-15-14-34-11-10-32-7-6-30-3-2-26(27)28/h2-25H2,1H3,(H,27,28)
• InChIKey: JMAKFNFKUHXFBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oic acid
• IUPAC Traditional name: 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaoctatriacontan-38-oic acid
• Synonyms: mPEG acid (n=11); O-(2-Carboxyethyl)-O′-methyl-undecaethylene glycol; mPEG 酸（聚合度为 11）; O-(2-羧基乙基)-O′-甲基-十一烷乙二醇

Database IDs

• MDL Number: MFCD08274611
• PubChem SID: 162236003
• PubChem CID: 71310695

CALCULATED PROPERTIES

• Acid pKa: 4.188047
• H Acceptors: 14
• H Donor: 1
• LogD (pH = 5.5): -2.0071898
• LogD (pH = 7.4): -3.718739
• Log P: -0.6771851
• Molar Refractivity: 145.275 cm^3
• Polarizability: 57.71843 Å^3
• Polar Surface Area: 148.06 Å^2
• Rotatable Bonds: 36
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95% (oligomer purity)
• Empirical Formula (Hill Notation): C26H52O14

DETAILS

Sigma Aldrich - 689556

Packaging
250 mg in glass bottle