L-Xylopyranose
Identification
- Name
- L-Xylopyranose
- Accession Number
- DB03911
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-Xylopyranose (DB03911)
- Weight
- Average: 150.1299
Monoisotopic: 150.05282343 - Chemical Formula
- C5H10O5
- Synonyms
- Not Available
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UXylose isomerase Not Available Streptomyces rubiginosus - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This 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 Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Pentoses
- Alternative Parents
- Oxanes / Secondary alcohols / Hemiacetals / Polyols / Oxacyclic compounds / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Hemiacetal / Hydrocarbon derivative / Organoheterocyclic compound / Oxacycle / Oxane / Pentose monosaccharide / Polyol / Secondary alcohol
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- L-xylose (CHEBI:59275)
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- SRBFZHDQGSBBOR-CZBDKTQLSA-N
- InChI
- InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m0/s1
- IUPAC Name
- (3S,4R,5S)-oxane-2,3,4,5-tetrol
- SMILES
- O[C@H]1COC(O)[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1220.0 mg/mL ALOGPS logP -2.6 ALOGPS logP -2.3 ChemAxon logS 0.91 ALOGPS pKa (Strongest Acidic) 11.31 ChemAxon pKa (Strongest Basic) -3.5 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 90.15 Å2 ChemAxon Rotatable Bond Count 0 ChemAxon Refractivity 29.96 m3·mol-1 ChemAxon Polarizability 13.29 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.6978 Blood Brain Barrier - 0.5058 Caco-2 permeable - 0.8326 P-glycoprotein substrate Non-substrate 0.6088 P-glycoprotein inhibitor I Non-inhibitor 0.9578 P-glycoprotein inhibitor II Non-inhibitor 0.9963 Renal organic cation transporter Non-inhibitor 0.9178 CYP450 2C9 substrate Non-substrate 0.8612 CYP450 2D6 substrate Non-substrate 0.8864 CYP450 3A4 substrate Non-substrate 0.6601 CYP450 1A2 substrate Non-inhibitor 0.9791 CYP450 2C9 inhibitor Non-inhibitor 0.978 CYP450 2D6 inhibitor Non-inhibitor 0.9604 CYP450 2C19 inhibitor Non-inhibitor 0.976 CYP450 3A4 inhibitor Non-inhibitor 0.9807 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9899 Ames test Non AMES toxic 0.8533 Carcinogenicity Non-carcinogens 0.9662 Biodegradation Ready biodegradable 0.9397 Rat acute toxicity 1.1899 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9815 hERG inhibition (predictor II) Non-inhibitor 0.9533
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
- Kind
- Protein
- Organism
- Streptomyces rubiginosus
- Pharmacological action
- Unknown
- General Function
- Xylose isomerase activity
- Specific Function
- Involved in D-xylose catabolism.
- Gene Name
- xylA
- Uniprot ID
- P24300
- Uniprot Name
- Xylose isomerase
- Molecular Weight
- 43226.915 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52
