D-Glucurone - ≥99% , CAS No.32449-92-6

CAS: 32449-92-6 Cat. No.: G100817 Formula: C₆H₈O₆ Molecular Weight: 176.12 Beilstein Registry Number: 83595 EC Number: 251-053-3

GRADE & PURITY ≥99%

Synonyms

GLUCUROLACTONE | Tosylchloramide sodium | 00CE759F-D1F9-492E-89F7-B7400A34C72D | D-glucofuranuronate gamma-lactone | GLUCUROLACTONE [WHO-DD] | Glucuronolattone | D-Glucurono-6,3-lactone | Glucurolactonum | AKOS006341990 | BRN 0083595 | D70547 | Glucuronol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

GLUCUROLACTONE | Tosylchloramide sodium | 00CE759F-D1F9-492E-89F7-B7400A34C72D | D-glucofuranuronate gamma-lactone | GLUCUROLACTONE [WHO-DD] | Glucuronolattone | D-Glucurono-6,3-lactone | Glucurolactonum | AKOS006341990 | BRN 0083595 | D70547 | Glucuronol

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488186700

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186700

Canonical Smiles

C(=O)C(C1C(C(C(=O)O1)O)O)O

IUPAC Name

(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde

InChIKey

UYUXSRADSPPKRZ-SKNVOMKLSA-N

INCHI

1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1

Isomeric SMILES

C(=O)[C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O

WGK Germany

2

RTECS

LZ8930000

Molecular Weight

176.12

Beilstein

83595

Reaxy-Rn

102193

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Alpha-hydroxyaldehydes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Alpha-hydroxyaldehyde - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Aldehyde - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• External Descriptors: glucuronolactone

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: Soluble in Water.
• Specific Rotation[α]: 18.5 ° (C=5, H2O)
• Melt Point(°C): 170-176°C
• Molecular Weight: 176.120 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 176.032 Da
• Monoisotopic Mass: 176.032 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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