D-Gulono-1,4-lactone - ≥98% , CAS No.6322-07-2

CAS: 6322-07-2 Cat. No.: D331820 Peso molecular: 178.14 Beilstein Registry Number: 83012 Número EC: 228-678-5

GRADE & PURITY ≥98%

Synonyms

EINECS 228-678-5 | HY-118840 | s3362 | WLN: T56 BM DNJ C1CN | 1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methylbenzene) | BAF290D4-5A2B-424C-9F26-37DBB214E76B | SCHEMBL3183 | 6,6 inverted exclamation mark -Dimethyl-2,2 inverted exclamation mark -bipyridyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

D-Gulono-1,4-lactone is a hexanoic acid used as a starting material in EPC syntheses.

Specifications

Sinónimos

EINECS 228-678-5 | HY-118840 | s3362 | WLN: T56 BM DNJ C1CN | 1, 1'-(2, 2, 2-trichloroethane-1, 1-diyl)bis(4-methylbenzene) | BAF290D4-5A2B-424C-9F26-37DBB214E76B | SCHEMBL3183 | 6, 6 inverted exclamation mark -Dimethyl-2, 2 inverted exclamation mark -bipyridyl

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

L-Gulonolactone (also known as reduced ascorbic acid, RAA) is the substrate of the enzyme L-gulono-1, 4-lactone oxidoreductase (EC 1.1.3.8), which catalyzes the last step of the biosynthesis of L-ascorbic acid (vitamin C) in plants and animals. The enzyme

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757564
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757564
• Sonrisas canónicas: C(C(C1C(C(C(=O)O1)O)O)O)O
• IUPAC Name: (3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
• InChIKey: SXZYCXMUPBBULW-LECHCGJUSA-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
• Isómeros SMILES: C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O
• WGK Alemania: 3
• Peso molecular: 178.14
• Beilstein: 83012
• 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
    • Clase Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, and methanol.
• Índice de refracción: n20D1.63 (Predicted)
• Rotación específica [α]: α20/D -55.7°, c = 0.6 in water; α20/D -55°, c = 4 in water
• Punto de ebullición (°C): 467.94° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 182-188° C (lit.)
• 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