Fosfructose

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Fosfructose
Accession Number
DB13863
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • 1,6-di-O-phosphono-D-fructose
  • D-fructose 1,6-bisphosphate
  • Fructose 1,6-bisphosphate
  • Fructose 1,6-diphosphate
  • Fructose-1,6-diphosphate
  • Harden-young ester
  • keto-D-fructose 1,6-bisphosphate
Categories
UNII
M7522JYX1H
CAS number
488-69-7
Weight
Average: 340.1157
Monoisotopic: 339.996048936
Chemical Formula
C6H14O12P2
InChI Key
XPYBSIWDXQFNMH-UYFOZJQFSA-N
InChI
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
IUPAC Name
{[(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexyl]oxy}phosphonic acid
SMILES
[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololAcebutolol may increase the arrhythmogenic activities of Fosfructose.
AcetyldigitoxinAcetyldigitoxin may increase the arrhythmogenic activities of Fosfructose.
AcetyldigoxinAcetyldigoxin may increase the arrhythmogenic activities of Fosfructose.
AdenosineAdenosine may increase the arrhythmogenic activities of Fosfructose.
AgmatineAgmatine may increase the arrhythmogenic activities of Fosfructose.
AjmalineAjmaline may increase the arrhythmogenic activities of Fosfructose.
AlprenololAlprenolol may increase the arrhythmogenic activities of Fosfructose.
AmiodaroneAmiodarone may increase the arrhythmogenic activities of Fosfructose.
AmlodipineAmlodipine may increase the arrhythmogenic activities of Fosfructose.
AnisodamineAnisodamine may increase the arrhythmogenic activities of Fosfructose.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
76632
ChEBI
16905
ChEMBL
CHEMBL1235112
HET
P6F
ATC Codes
C01EB07 — Fructose 1,6-diphosphate
PDB Entries
3gb6 / 3t2d / 5f2g / 5f4s / 5tkl / 5tkn / 5tkp / 5ucp / 5ud3

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility13.6 mg/mLALOGPS
logP-1.6ALOGPS
logP-3.5ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.01ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area211.28 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity59.31 m3·mol-1ChemAxon
Polarizability25.53 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kb-0955000000-424463ed06df92a04093
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00kk-1954000000-c578c6dc8f011032d008
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000i-0109000000-5374d73d3b6f0d1d67cc
MS/MS Spectrum - , negativeLC-MS/MSsplash10-0002-9100000000-90d958ebad119c7c60f4
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-00gl-0197000000-2c666d207be881c4ef28
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0kk9-0392000000-2e114e2ff3476fa48de6
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-056r-1960000000-d78713458d852ddd22e7
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-052b-5900000000-d65f29d5f722e387b3eb
LC-MS/MS Spectrum - LC-ESI-QQ , positiveLC-MS/MSsplash10-0002-9000000000-3b992f02b655d8e877c3

Taxonomy

Description
This compound belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Hexose phosphates
Alternative Parents
Monosaccharide phosphates / Glycerone phosphates / Monoalkyl phosphates / Beta-hydroxy ketones / Acyloins / Alpha-hydroxy ketones / Secondary alcohols / Polyols / Organic oxides / Hydrocarbon derivatives
Substituents
Hexose phosphate / Monosaccharide phosphate / Glycerone phosphate / Monoalkyl phosphate / Acyloin / Beta-hydroxy ketone / Organic phosphoric acid derivative / Phosphoric acid ester / Alkyl phosphate / Alpha-hydroxy ketone
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
D-fructose 1,6-bisphosphate (CHEBI:16905)

Drug created on June 26, 2017 14:23 / Updated on May 01, 2019 11:53