beta-D-Ribopyranose
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Identification
- Generic Name
- beta-D-Ribopyranose
- DrugBank Accession Number
- DB04286
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 150.1299
Monoisotopic: 150.05282343 - Chemical Formula
- C5H10O5
- Synonyms
- β-D-ribopyranose
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UD-ribose-binding periplasmic protein Not Available Escherichia coli (strain K12) UD-ribose pyranase Not Available Bacillus subtilis (strain 168) - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
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
- D-ribopyranose (CHEBI:27476)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 49X539P7H4
- CAS number
- 7296-60-8
- InChI Key
- SRBFZHDQGSBBOR-TXICZTDVSA-N
- InChI
- InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
- IUPAC Name
- (2R,3R,4R,5R)-oxane-2,3,4,5-tetrol
- SMILES
- O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0012194
- KEGG Compound
- C08353
- PubChem Compound
- 441481
- PubChem Substance
- 46508710
- ChemSpider
- 390205
- ChEBI
- 27476
- ChEMBL
- CHEMBL1159662
- ZINC
- ZINC000004097544
- PDBe Ligand
- RIP
- PDB Entries
- 1a7c / 1dbp / 1drj / 1drk / 1ogd / 1y7p / 2dri / 2fn8 / 2gx6 / 2ioy … show 23 more
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 13.39 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 splash10-000x-9400000000-f20d1c35a7eeea1609a5 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0159-0900000000-10bacfb51d10011271fe Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000j-9400000000-2830973d608b815ba6dc Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052o-9000000000-5383979d7d1740e14014 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0007-9100000000-8c4c49ea22df82c1a4a3 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9000000000-e6bb56a82f55d73cac1c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-9000000000-8c74ff34db7d039ae61d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 126.3757907 predictedDarkChem Lite v0.1.0 [M-H]- 132.66673 predictedDeepCCS 1.0 (2019) [M+H]+ 126.9051907 predictedDarkChem Lite v0.1.0 [M+H]+ 134.90929 predictedDeepCCS 1.0 (2019) [M+Na]+ 125.8034907 predictedDarkChem Lite v0.1.0 [M+Na]+ 141.52336 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsD-ribose-binding periplasmic protein
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Monosaccharide transmembrane transporter activity
- Specific Function
- Part of the ABC transporter complex RbsABC involved in ribose import. Binds ribose. Also serves as the primary chemoreceptor for chemotaxis.
- Gene Name
- rbsB
- Uniprot ID
- P02925
- Uniprot Name
- Ribose import binding protein RbsB
- Molecular Weight
- 30950.265 Da
References
2. DetailsD-ribose pyranase
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Monosaccharide binding
- Specific Function
- Catalyzes the interconversion of beta-pyran and beta-furan forms of D-ribose.
- Gene Name
- rbsD
- Uniprot ID
- P36946
- Uniprot Name
- D-ribose pyranase
- Molecular Weight
- 14227.32 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52