Identification
- Generic Name
- PROPYL-1-PHOSPHATE
- DrugBank Accession Number
- DB04755
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for PROPYL-1-PHOSPHATE (DB04755)
- Weight
- Average: 137.0511
Monoisotopic: 137.000370192 - Chemical Formula
- C3H6O4P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organic oxides
- Sub Class
- Not Available
- Direct Parent
- Organic oxides
- Alternative Parents
- Organic salts / Hydrocarbon derivatives / Alkoxides / Organic cations
- Substituents
- Aliphatic acyclic compound / Alkoxide / Hydrocarbon derivative / Organic cation / Organic oxide / Organic salt / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- GVQSIYRMPBGDCV-UHFFFAOYSA-N
- InChI
- InChI=1S/C3H6O4P/c4-2-1-3-7-8(5)6/h1-3H2/q-1
- IUPAC Name
- 3-(phosphooxy)propan-1-olate
- SMILES
- [O-]CCCOP(=O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 2d2l
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 155.0 mg/mL ALOGPS logP -0.73 ALOGPS logP -0.87 Chemaxon logS 0 ALOGPS pKa (Strongest Acidic) 15.9 Chemaxon pKa (Strongest Basic) -2.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.43 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 38.48 m3·mol-1 Chemaxon Polarizability 10.7 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 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]- 120.5412 predictedDeepCCS 1.0 (2019) [M+H]+ 123.33009 predictedDeepCCS 1.0 (2019) [M+Na]+ 131.56175 predictedDeepCCS 1.0 (2019)
Drug created at September 11, 2007 17:49 / Updated at June 12, 2020 16:52