D-(+)-Glucose，anhydrous - Anhydrous Grade, PharmPure™, Moligand™, pharmaceutical grade , CAS No.50-99-7

CAS: 50-99-7 Cat. No.: D639737 Formula: C₆H₁₂O₆ Molecular Weight: 180.16 Beilstein Registry Number: 1724615 EC Number: 200-075-1

GRADE & PURITY Anhydrous Grade, PharmPure™, Moligand™, Pharmaceutical grade

Synonyms

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal | D-(+)-Dextrose | D-Glucose

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal | D-(+)-Dextrose | D-Glucose

Specifications & Purity

Anhydrous Grade, PharmPure™, Moligand™, pharmaceutical grade

Storage

Room temperature,Argon charged

Shipped In

Normal

Grade

Anhydrous Grade, Moligand™, Pharmaceutical grade, PharmPure™

Names and Identifiers

• Pubchem Sid: 504756620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756620
• Canonical Smiles: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
• IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
• InChIKey: GZCGUPFRVQAUEE-SLPGGIOYSA-N
• INCHI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
• WGK Germany: 1
• RTECS: LZ6600000
• Molecular Weight: 180.16
• Beilstein: 1724615
• Reaxy-Rn: 1281608
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Hexoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Hexoses
• Alternative Parents: Medium-chain aldehydes Beta-hydroxy aldehydes Alpha-hydroxyaldehydes Secondary alcohols Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hexose monosaccharide - Medium-chain aldehyde - Beta-hydroxy aldehyde - Alpha-hydroxyaldehyde - Secondary alcohol - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Aldehyde - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
• External Descriptors: aldehydo-glucose - D-glucose

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, hot glacial acetic acid, pyridine, aniline and dimethyl sulfoxide. Slightly soluble in methanol, ethanol and acetone.
• Sensitivity: Moisture sensitive
• x_specific_rotation: 53 ° (C=10, H2O)
• x_melt_point_char: 146°C
• Molecular Weight: 180.160 g/mol
• XLogP3: -2.900
• 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: 138.000
• 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