NAV

Psicose

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
3D
Similar Structures
Weight
Average: 180.1559
Monoisotopic: 180.063388116
Chemical Formula
C6H12O6
Synonyms
  • Allulose
  • DL-Psicose
  • Erythrohexulose
  • Pseudofructose
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Pharmacology

Indication

Not Available

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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
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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
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

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility399.0 mg/mLALOGPS
logP-2.2ALOGPS
logP-3.3Chemaxon
logS0.35ALOGPS
pKa (Strongest Acidic)12.16Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area118.22 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity37.56 m3·mol-1Chemaxon
Polarizability16.35 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01vn-5900000000-a8bf8422262800ecaa24
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-dcd182a439597da32ebf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01vo-9000000000-2f7376d71ad74f7059b9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-0f2a42efa0e77fa09589
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-ec3571c239d0c5c37921
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-9000000000-98f89a881bd3d1781163
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-138.81334
predicted
DeepCCS 1.0 (2019)
[M+H]+141.1748
predicted
DeepCCS 1.0 (2019)
[M+Na]+147.51881
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:48 / Updated at June 12, 2020 16:53