Psicose
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Psicose
- DrugBank Accession Number
- DB15087
- Background
Psicose is under investigation in clinical trial NCT02459834 (The Fructose and Allulose Catalytic Effects (FACE) Trial).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 180.1559
Monoisotopic: 180.063388116 - Chemical Formula
- C6H12O6
- Synonyms
- Allulose
- DL-Psicose
- Erythrohexulose
- Pseudofructose
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KRF88IOA7T
- CAS number
- 23140-52-5
- InChI Key
- BJHIKXHVCXFQLS-PUFIMZNGSA-N
- InChI
- InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
- IUPAC Name
- (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
- SMILES
- OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
References
- General References
- Not Available
- External Links
- ChemSpider
- 81254
- ChEBI
- 27605
- ZINC
- ZINC000005132035
- PDBe Ligand
- PSJ
- Wikipedia
- Psicose
- PDB Entries
- 3itv / 3m0l / 3m0x / 3vnj / 4lfm / 4pfh / 7cj6 / 7cj8 / 7dz6 / 7ero … show 1 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 399.0 mg/mL ALOGPS logP -2.2 ALOGPS logP -3.3 Chemaxon logS 0.35 ALOGPS pKa (Strongest Acidic) 12.16 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 118.22 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 37.56 m3·mol-1 Chemaxon Polarizability 16.35 Å3 Chemaxon Number of Rings 0 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-01vn-5900000000-a8bf8422262800ecaa24 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-9000000000-dcd182a439597da32ebf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01vo-9000000000-2f7376d71ad74f7059b9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-0f2a42efa0e77fa09589 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-ec3571c239d0c5c37921 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-9000000000-98f89a881bd3d1781163 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]- 138.81334 predictedDeepCCS 1.0 (2019) [M+H]+ 141.1748 predictedDeepCCS 1.0 (2019) [M+Na]+ 147.51881 predictedDeepCCS 1.0 (2019)
Drug created at May 20, 2019 14:48 / Updated at June 12, 2020 16:53