Piperazine-1,4-bis(2-hydroxypropanesulfonic Acid) Dihydrate (POPSO) - ≥99% , CAS No.68189-43-5

CAS: 68189-43-5 Cat. No.: P105272 Molecular Weight: 398.45 EC Number: 269-199-1

GRADE & PURITY ≥99%

Synonyms

Piperazine-1,4-bis(2-hydroxypropanesulfonic acid) dihydrate | POPSO hydrate | AC-24635 | Piperazine-1,4-bis(2-hydroxypropanesulfonic Acid) | 1,4-Piperazinedipropanesulfonic acid, beta1,beta4-dihydroxy- | UNII-8MX69Z3W59 | 2-hydroxy-3-[4-(2-hydroxy-3-sulfo

Storage

Room temperature

Shipped In

Normal

Overview

POPSO is a zwitterionic buffer that increases osmotic pressure and significantly inhibits anion exchange in single pores. The IC50 of POPSO for inhibiting chloride single pore channels is 24 mM. POPSO enhances algal uptake and toxicity of copper, damaging the inner mitochondrial membrane. The operating pH range of POPSO is 7.2–8.5.

Specifications

Synonyms

Piperazine-1, 4-bis(2-hydroxypropanesulfonic acid) dihydrate | POPSO hydrate | AC-24635 | Piperazine-1, 4-bis(2-hydroxypropanesulfonic Acid) | 1, 4-Piperazinedipropanesulfonic acid, beta1, beta4-dihydroxy- | UNII-8MX69Z3W59 | 2-hydroxy-3-[4-(2-hydroxy-3-sulfo

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488187442
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187442
• Canonical Smiles: C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
• IUPAC Name: 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
• InChIKey: LVQFQZZGTZFUNF-UHFFFAOYSA-N
• INCHI: 1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)
• Isomeric SMILES: C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
• Molecular Weight: 398.45
• Reaxy-Rn: 842252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=842252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solubility in 1mol/L NaOH almost transparency
• Molecular Weight: 362.400 g/mol
• XLogP3: -7.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 362.082 Da
• Monoisotopic Mass: 362.082 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1