1,4-Anhydro-D-xylitol - ≥95% , CAS No.53448-53-6

CAS: 53448-53-6 Cat. No.: A151783 Peso molecular: 134.13

GRADE & PURITY ≥95%

Synonyms

rel-(2R,3R,4S)-2-(Hydroxymethyl)tetrahydrofuran-3,4-diol | D-Xylitol, 1,4-anhydro- | 1,4-Anhydroxylitol | A871841 | HY-W007174A | EINECS 258-560-9 | (2R,3R,4S)-2-(Hydroxymethyl)tetrahydrofuran-3,4-diol | UNII-5KQL0CX6R6 | MFCD27923011 | (+/-)-1,4-ANHYDROX

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

rel-(2R, 3R, 4S)-2-(Hydroxymethyl)tetrahydrofuran-3, 4-diol | D-Xylitol, 1, 4-anhydro- | 1, 4-Anhydroxylitol | A871841 | HY-W007174A | EINECS 258-560-9 | (2R, 3R, 4S)-2-(Hydroxymethyl)tetrahydrofuran-3, 4-diol | UNII-5KQL0CX6R6 | MFCD27923011 | (+/-)-1, 4-ANHYDROX

Especificaciones y pureza

≥95%

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.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504756574
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756574
• Sonrisas canónicas: C1C(C(C(O1)CO)O)O
• IUPAC Name: (2R,3R,4S)-2-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: KZVAAIRBJJYZOW-VPENINKCSA-N
• INCHI: 1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1
• Isómeros SMILES: C1[C@@H]([C@H]([C@H](O1)CO)O)O
• Peso molecular: 134.13
• Reaxy-Rn: 1923415
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1923415&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Tetrahydrofurans Secondary alcohols Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose monosaccharide - Tetrahydrofuran - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
• 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

• Índice de refracción: 1.5
• Punto de inflamación (°C): 158 °C
• Punto de ebullición (°C): 160°C/0.2mmHg(lit.)
• Peso molecular: 134.130 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 134.058 Da
• Monoisotopic Mass: 134.058 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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