D-Glucono-1,4-lactone - ≥95% , CAS No.1198-69-2

CAS: 1198-69-2 Cat. No.: D302546 Fórmula: C₆H₁₀O₆ Peso molecular: 178.14

GRADE & PURITY ≥95%

Synonyms

D-Glucono-1,4-lactone | F62S8J9R28 | (3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one | A892396 | d-Gluconic acid gamma-lactone | EX-A3355 | UNII-F62S8J9R28 | Gluconic acid-1,4-lactone | D-Gluconic acid, .gamma.-lactone | D-glucon

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

D-Glucono-1,4-Lactone ((3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one) is used as an antifungal agent.D-Glucono-1,4-Lactone is found in wine and is a natural preservative.

Specifications

Sinónimos

D-Glucono-1,4-lactone | F62S8J9R28 | (3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-one | A892396 | d-Gluconic acid gamma-lactone | EX-A3355 | UNII-F62S8J9R28 | Gluconic acid-1,4-lactone | D-Gluconic acid, .gamma.-lactone | D-glucon

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504758725

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758725

Sorrisos canónicos

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

IUPAC Name

(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

InChIKey

SXZYCXMUPBBULW-TXICZTDVSA-N

INCHI

1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1

SMILES isoméricas

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

Peso molecular

178.14

Reaxy-Rn

1682356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1682356&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: 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: gluconolactone

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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 467.9±18.0 °C(Predicted)
• Ponto de fusão (°C): 134-135 °C
• Peso molecular: 178.140 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 178.048 Da
• Monoisotopic Mass: 178.048 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 181.000
• 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