7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]heptanoic acid

• ChemBase ID: 105812
• Molecular Formular: C20H34O5
• Molecular Mass: 354.48096
• Monoisotopic Mass: 354.24062419
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(=O)C1CCCCCCC(=O)O
• Canonical SMILES: CCCCCC(/C=C/C1C(O)CC(=O)C1CCCCCCC(=O)O)O
• InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)
• InChIKey: GMVPRGQOIOIIMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-hydroxy-2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopentyl]heptanoic acid
• IUPAC Traditional name: (-)-prostaglandin E1
• Synonyms: PROSTAGLANDIN E₁; 11α,13E,15S]-11,15-Dihydroxy-9-oxoprosta-13-en-1-oic acid; PROSTAGLANDIN E1 γ-IRRADIATED

Database IDs

• CAS Number: 745-65-3
• EC Number: 212-017-2
• PubChem SID: 162086858
• PubChem CID: 5353401

CALCULATED PROPERTIES

• Acid pKa: 4.353232
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.4122984
• LogD (pH = 7.4): 0.6635846
• Log P: 3.5871918
• Molar Refractivity: 98.3185 cm^3
• Polarizability: 38.432873 Å^3
• Polar Surface Area: 94.83 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C
• RTECS: GY4569800
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02195460

Synthetic White to light yellow needles Purity: 99%

MP Biomedicals - 02194575

Cell Culture Reagent Synthetic White to light yellow needles Purity: 99%

MP Biomedicals - 02194574

Cell Culture Reagent
γ-Irradiated
Synthetic
White to light yellow needles
Purity: 99%