Identification
- Generic Name
- L-Rhamnitol
- DrugBank Accession Number
- DB02399
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-Rhamnitol (DB02399)
- Weight
- Average: 166.1724
Monoisotopic: 166.084123558 - Chemical Formula
- C6H14O5
- Synonyms
- (2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol
- 1-deoxy-L-mannitol
- 6-deoxy-L-mannitol
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
Target Actions Organism UL-rhamnose isomerase Not Available Escherichia coli (strain K12) - 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 hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Hexoses
- Alternative Parents
- Fatty alcohols / Secondary alcohols / Polyols / Primary alcohols / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Fatty acyl / Fatty alcohol / Hexose monosaccharide / Hydrocarbon derivative / Polyol / Primary alcohol / Secondary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- hexitol (CHEBI:45530)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- IHI9UGC58P
- CAS number
- 488-28-8
- InChI Key
- SKCKOFZKJLZSFA-BXKVDMCESA-N
- InChI
- InChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1
- IUPAC Name
- (2S,3S,4S,5S)-hexane-1,2,3,4,5-pentol
- SMILES
- C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
References
- General References
- Not Available
- External Links
- PDB Entries
- 1de5
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 476.0 mg/mL ALOGPS logP -2.2 ALOGPS logP -2.7 Chemaxon logS 0.46 ALOGPS pKa (Strongest Acidic) 12.7 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 101.15 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 36.86 m3·mol-1 Chemaxon Polarizability 16.25 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-08i4-9200000000-3a42655db4c6b3b25ee1 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-2900000000-9826dd0380346c0e364c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9100000000-5821fd98154b50b3c9c6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-90efae42f7cbe9e97263 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4l-9000000000-cba8ab24fdfbb7504690 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-8a9712a5a1633a32cdec Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0005-9000000000-dc804bd2f8ea23f9d244 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]- 137.64174 predictedDeepCCS 1.0 (2019) [M+H]+ 140.01189 predictedDeepCCS 1.0 (2019) [M+Na]+ 146.44914 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Manganese ion binding
- Specific Function
- Not Available
- Gene Name
- rhaA
- Uniprot ID
- P32170
- Uniprot Name
- L-rhamnose isomerase
- Molecular Weight
- 47198.95 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:16