3-O-Ethyl-L-ascorbic Acid - Moligand™, ≥98%(HPLC)(T) , CAS No.86404-04-8

CAS: 86404-04-8 Cat. No.: O159940 Peso molecular: 204.18 Número EC: 617-849-3

GRADE & PURITY Moligand™, ≥98%(HPLC)(T)

Synonyms

5-(1,2-Dihydroxy-ethyl)-4-ethoxy-3-hydroxy-5H-furan-2-one | 3-O-Ethylascorbic acid | 3-o-ethyl-ascorbic acid | Q-102493 | 3-O-Ethyl-L-ascorbic acid | 3-O-Ethyl-L-ascorbicacid | SCHEMBL352408 | EC 617-849-3 | O0086 | Vitamin C ethyl | (2R)-2-[(1S)-1,2-dihy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

5-(1, 2-Dihydroxy-ethyl)-4-ethoxy-3-hydroxy-5H-furan-2-one | 3-O-Ethylascorbic acid | 3-o-ethyl-ascorbic acid | Q-102493 | 3-O-Ethyl-L-ascorbic acid | 3-O-Ethyl-L-ascorbicacid | SCHEMBL352408 | EC 617-849-3 | O0086 | Vitamin C ethyl | (2R)-2-[(1S)-1, 2-dihy

Especificaciones y pureza

Moligand™, ≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504757333
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757333
• Sonrisas canónicas: CCOC1=C(C(=O)OC1C(CO)O)O
• IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
• InChIKey: ZGSCRDSBTNQPMS-UJURSFKZSA-N
• INCHI: 1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
• Isómeros SMILES: CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
• Peso molecular: 204.18
• Reaxy-Rn: 24749166
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24749166&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Vinylogous esters Enoate esters Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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 Methanol
• Sensibilidad: Heat Sensitive
• Rotación específica [α]: 47° (C=1,MeOH)
• Punto de fusión (°C): 114 °C
• Peso molecular: 204.180 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 204.063 Da
• Monoisotopic Mass: 204.063 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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