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

CAS: 1198-69-2 Cat. No.: D302546 Summenformel: C₆H₁₀O₆ Molekulargewicht: 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

Raumtemperatur, getrocknet

Shipped In

Normal

Übersicht

D-Glucono-1,4-Lacton ((3R,4R,5R)-5-((R)-1,2-Dihydroxyethyl)-3,4-dihydroxydihydrofuran-2(3H)-on) wird als antimykotisches Mittel verwendet, das in Wein vorkommt und ein natürliches Konservierungsmittel ist

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Raumtemperatur, getrocknet

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504758725

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 467.9±18.0 °C(Predicted)
• Schmelzpunkt (°C): 134-135 °C
• Molekulargewicht: 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