3-Hydroxypropanal - Moligand™, ≥98% , CAS No.2134-29-4

CAS: 2134-29-4 Cat. No.: H588118 Molecular Weight: 74.08 EC Number: 218-365-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

.BETA.-HYDROXYPROPIONALDEHYDE | Propanal, 3-hydroxy- | 3-Hydroxypropanal | b-Hydroxypropionaldehyde | DTXSID4062199 | beta-Hydroxypropanal | 3-Hydroxypropionaldehyde | AKXKFZDCRYJKTF-UHFFFAOYSA-N | GS-0048 | AKOS007930810 | MFCD17281015 | beta-Hydroxyprop

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Reuterin is a broad-spectrum antibacterial agent produced by Lactobacillus reuteri during the anaerobic metabolism of glycerol. Reuterin is an effective antibacterial agent against Gram positive and Gram negative bacteria, as well as yeast, mold, and protozoa. Reuterin has strong antibacterial activity against a wide range of Campylobacter species isolated from human and poultry meat.

Specifications

Synonyms

.BETA.-HYDROXYPROPIONALDEHYDE | Propanal, 3-hydroxy- | 3-Hydroxypropanal | b-Hydroxypropionaldehyde | DTXSID4062199 | beta-Hydroxypropanal | 3-Hydroxypropionaldehyde | AKXKFZDCRYJKTF-UHFFFAOYSA-N | GS-0048 | AKOS007930810 | MFCD17281015 | beta-Hydroxyprop

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CO)C=O
• IUPAC Name: 3-hydroxypropanal
• InChIKey: AKXKFZDCRYJKTF-UHFFFAOYSA-N
• INCHI: 1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2
• Isomeric SMILES: C(CO)C=O
• Molecular Weight: 74.08
• Reaxy-Rn: 1738038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Short-chain aldehydes Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• External Descriptors: a small molecule

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

• Sensitivity: Air sensitive
• Molecular Weight: 74.080 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1