2-amino-2-(hydroxymethyl)propane-1,3-diol; 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid

• ChemBase ID: 105813
• Molecular Formular: C24H45NO8
• Molecular Mass: 475.616
• Monoisotopic Mass: 475.31451741
• SMILES: CCCCCC(O)/C=C/C1C(O)CC(O)C1C/C=C/CCCC(=O)O.NC(CO)(CO)CO
• Canonical SMILES: OCC(CO)(CO)N.CCCCCC(/C=C/C1C(O)CC(C1C/C=C/CCCC(=O)O)O)O
• InChI: InChI=1S/C20H34O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2
• InChIKey: IYGXEHDCSOYNKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid
• IUPAC Traditional name: 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]hept-5-enoic acid; tris buffer
• Synonyms: PROSTAGLANDIN F2α TRIS SALT; PGF₂α; PROSTAGLANDIN F2α TRIS SALT (TROMETHAMINE)

Database IDs

• CAS Number: 38562-01-5
• EC Number: 254-002-3
• PubChem SID: 162092671
• PubChem CID: 12877416

CALCULATED PROPERTIES

• Acid pKa: 4.355294
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 1.4380769
• LogD (pH = 7.4): -0.31100234
• Log P: 2.6110544
• Molar Refractivity: 100.4707 cm^3
• Polarizability: 38.732555 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-103°C; 41-43°C

Safety Information

• Storage Condition: -20°C
• RTECS: UK8025000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Purity: ~99%

DETAILS

MP Biomedicals - 02195462

White crystalline powder
Tris Salt (Tromethamine)
Purity: ~99%

MP Biomedicals - 02194579

Cell Culture Reagent
Tris Salt (Tromethamine)
White crystalline powder
Purity: ~99%

MP Biomedicals - 02194578

Tris Salt (Tromethamine)
Cell Culture Reagent
γ-Irradiated
White crystalline powder
Purity: ~99%