Glycolaldehyde dimer - Reagent grade , CAS No.23147-58-2

CAS: 23147-58-2 Cat. No.: G168832 Molecular Weight: 120.1 Beilstein Registry Number: 506029 EC Number: 607-202-3

GRADE & PURITY Reagent Grade

Synonyms

[1,4]-dioxan-2,5-diol | EINECS 204-590-2 | DTXSID60945822 | JNG39F464R | Glycoaldehyde dimer | 1,4-Dioxane-2,5-diol # | 14-Dioxane-25-diol | D92592 | SCHEMBL52731 | 2,5-DIHYDROXY-P-DIOXANE | FT-0602682 | s3334 | 1,4-Dioxane-2,5-diol | AM20090246 | EN300-8

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[1, 4]-dioxan-2, 5-diol | EINECS 204-590-2 | DTXSID60945822 | JNG39F464R | Glycoaldehyde dimer | 1, 4-Dioxane-2, 5-diol # | 14-Dioxane-25-diol | D92592 | SCHEMBL52731 | 2, 5-DIHYDROXY-P-DIOXANE | FT-0602682 | s3334 | 1, 4-Dioxane-2, 5-diol | AM20090246 | EN300-8

Specifications & Purity

Reagent grade

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Reagent Grade

Names and Identifiers

• Pubchem Sid: 504757736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757736
• Canonical Smiles: C1C(OCC(O1)O)O
• IUPAC Name: 1,4-dioxane-2,5-diol
• InChIKey: ATFVTAOSZBVGHC-UHFFFAOYSA-N
• INCHI: 1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
• Isomeric SMILES: C1C(OCC(O1)O)O
• WGK Germany: 3
• Molecular Weight: 120.1
• Beilstein: 506029
• Reaxy-Rn: 104399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Hemiacetals Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Hemiacetal - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• 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

• Molecular Weight: 120.100 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 120.042 Da
• Monoisotopic Mass: 120.042 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 64.400
• 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

References

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