Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110569
Identification
Name: aldehydo-D-glucose
Description:The open chain form of D-glucose.
Structure
Thumb
Synonyms:
  • (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
  • linear D-glucose
Chemical Formula: C6H12O6
Average Molecular Weight: 180.16
Monoisotopic Molecular Weight: 180.0633881178
InChI Key: GZCGUPFRVQAUEE-SLPGGIOYSA-N
InChI: 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
CAS number: Not Available
IUPAC Name:aldehydo-D-gluco-hexose
Traditional IUPAC Name: Not Available
SMILES:C(=O)C(C(C(C(CO)O)O)O)O
Chemical Taxonomy
Taxonomy DescriptionThis 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.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Hexoses
Alternative Parents
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
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • aldose, hexose (CHEBI:33917)
  • an aldohexose (ALTROSE)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight180.156 g/molPubChem
XLogP3-2.9 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count5 PubChem
Exact Mass180.063 g/molPubChem
Monoisotopic Mass180.063 g/molPubChem
Topological Polar Surface Area118 A^2PubChem
Heavy Atom Count12 PubChem
Formal Charge0 PubChem
Complexity138 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI42758
    DrugBankDB01914
    PubChem107526