D-(−)-Fructose - UltraBio™, ≥99%(HPLC) , CAS No.57-48-7

CAS: 57-48-7 Cat. No.: D755696 Formula: C₆H₁₂O₆ Molecular Weight: 180.16 Beilstein Registry Number: 31321 EC Number: 200-333-3

GRADE & PURITY UltraBio™, ≥99%(HPLC)

Storage

Room temperature

Shipped In

Normal

Overview

D-Fructose is an important monosaccharide used in a wide range of applications. D-fructose is used in carbohydrate research, in organic and bioorganic synthesis; as a model compound; as a reference material, as an enzyme substrate and as a nutrient.

Specifications

Specifications & Purity

UltraBio™, ≥99%(HPLC)

Storage

Room temperature

Shipped In

Normal

Grade

UltraBio™

Purity

≥99%(HPLC)

Names and Identifiers

PH

5.0-7.0 (25 °C, 0.1 M in H 2 O)

Canonical Smiles

C(C(C(C(C(=O)CO)O)O)O)O

IUPAC Name

(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

InChIKey

BJHIKXHVCXFQLS-UYFOZJQFSA-N

INCHI

1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1

Isomeric SMILES

C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O

RTECS

LS7120000

Molecular Weight

180.16

Beilstein

31321

Reaxy-Rn

2207947

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2207947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: Beta-hydroxy ketones Acyloins Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosaccharide - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• External Descriptors: D-fructose - keto-fructose

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

Chemical and Physical Properties

• Solubility: H 2 O: 0.1 M at 20 °C, clear, colorless
• Refractive Index: 1.57
• Specific Rotation[α]: -92° (C=4,H2O)
• Boil Point(°C): 511.74°C
• Melt Point(°C): 103-105°C
• Molecular Weight: 180.160 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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