Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110299
Identification
Name: nt-pentose-ring
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C5H10O4
Average Molecular Weight: 134.13
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C1(C(C(CO1)O)O))O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Pentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Tetrahydrofuran
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Dialkyl ether
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a ring (NUKED-PENTOSE-RING)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass134.1304ChemAxon
logP-1.9007ChemAxon
H-bond acceptors4ChemAxon
H-bond donors3ChemAxon
Rotatable bonds1ChemAxon
PSA69.9200ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity28.6054ChemAxon
Atoms19ChemAxon
Rings1ChemAxon
Heavy atoms9ChemAxon
Hydrogen atoms10ChemAxon
Heteroatoms4ChemAxon
N/O atoms4ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers3ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers3ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
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
    PseudoCycNUKED-PENTOSE-RING