D-(+)-Glucose monohydrate - ≥98% , CAS No.14431-43-7

CAS: 14431-43-7 Cat. No.: G107849 Formula: C₆H₁₂O₆· H₂O Molecular Weight: 198.17 EC Number: 604-408-5

GRADE & PURITY ≥98%

Synonyms

(2S,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol hydrate | D-(+)-Glucose monohydrate | alpha-D-Glucose monohydrate | alpha-D-Glucopyranose, hydrate (1:1) | (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2S,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol hydrate | D-(+)-Glucose monohydrate | alpha-D-Glucose monohydrate | alpha-D-Glucopyranose, hydrate (1:1) | (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

508816520

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816520

Canonical Smiles

C(C1C(C(C(C(O1)O)O)O)O)O.O

IUPAC Name

(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate

InChIKey

OSNSWKAZFASRNG-WNFIKIDCSA-N

INCHI

1S/C6H12O6.H2O/c7-1-2-3(8)4(9)5(10)6(11)12-2;/h2-11H,1H2;1H2/t2-,3-,4+,5-,6+;/m1./s1

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O.O

Alternate CAS

5996-10-1;42752-07-8

Molecular Weight

198.17

Reaxy-Rn

18200197

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18200197&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: Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - Oxane - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic 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: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Specific Rotation[α]: [α]20/D+52.5—+53.3°, c = 10% in H2O (calc. on anhydrous subst.)
• Molecular Weight: 198.170 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 198.074 Da
• Monoisotopic Mass: 198.074 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 151.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 2

XLogP3