3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol

• ChemBase ID: 4106
• Molecular Formular: C16H34O9
• Molecular Mass: 370.43576
• Monoisotopic Mass: 370.22028267
• SMILES: OCCOCCOCCOCCOCCOCCOCCOCCO
• Canonical SMILES: OCCOCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
• InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol
• IUPAC Traditional name: octaethylene glycol
• Synonyms: Octaethylene glycol; 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol; 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol; PED-diol (n=8); Octaethylene glycol; PED-二醇（聚合度为 8）; 八乙二醇

Database IDs

• CAS Number: 5117-19-1
• EC Number: 225-856-4
• MDL Number: MFCD00698694
• PubChem SID: 22435041; 162103349
• PubChem CID: 78798

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.820126
• H Acceptors: 9
• H Donor: 2
• LogD (pH = 5.5): -1.5375077
• LogD (pH = 7.4): -1.5375077
• Log P: -1.5375077
• Molar Refractivity: 91.8581 cm^3
• Polarizability: 36.460754 Å^3
• Polar Surface Area: 105.07 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.63
• LOG S: -2.72
• Solubility (Water): 7.14e-01 g/l

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95% (oligomer purity); 97%
• Linear Formula: HO(CH2CH2O)8H

DETAILS

DrugBank - DB04535

Drug information: experimental

Sigma Aldrich - 15879

Packaging
1 g in poly tube
5 g in poly bottle