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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2017-03-23 05:15:14 UTC
Update Date2018-05-16 20:32:50 UTC
HMDB IDHMDB0062643
Secondary Accession Numbers
  • HMDB62643
Metabolite Identification
Common Name5-O-phosphonato-alpha-D-ribofuranosyl Diphosphate(5-)
Description5-O-phosphonato-alpha-D-ribofuranosyl Diphosphate(5-) is also known as 5-phospho-a-D-Ribose 1-diphosphoric acid or 5-Phosphonatoribosyl 1-pyrophosphate. 5-O-phosphonato-alpha-D-ribofuranosyl Diphosphate(5-) is considered to be soluble (in water) and acidic
Structure
Thumb
Synonyms
ValueSource
5-O-Phosphonato-a-D-ribofuranosyl diphosphate(5-)Generator
5-O-Phosphonato-a-D-ribofuranosyl diphosphoric acid(5-)Generator
5-O-Phosphonato-alpha-D-ribofuranosyl diphosphoric acid(5-)Generator
5-O-Phosphonato-α-D-ribofuranosyl diphosphate(5-)Generator
5-O-Phosphonato-α-D-ribofuranosyl diphosphoric acid(5-)Generator
5-O-Phosphonato-a-D-ribofuranosyl diphosphate pentaanionHMDB
5-O-Phosphonato-a-D-ribofuranosyl diphosphoric acid pentaanionHMDB
5-O-Phosphonato-alpha-D-ribofuranosyl diphosphate pentaanionHMDB
5-O-Phosphonato-alpha-D-ribofuranosyl diphosphoric acid pentaanionHMDB
5-O-Phosphonato-α-D-ribofuranosyl diphosphate pentaanionHMDB
5-O-Phosphonato-α-D-ribofuranosyl diphosphoric acid pentaanionHMDB
5-Phospho-a-D-ribose 1-diphosphateHMDB
5-Phospho-a-D-ribose 1-diphosphoric acidHMDB
5-Phospho-alpha-D-ribose 1-diphosphateHMDB
5-Phospho-alpha-D-ribose 1-diphosphoric acidHMDB
5-Phospho-α-D-ribose 1-diphosphateHMDB
5-Phospho-α-D-ribose 1-diphosphoric acidHMDB
5-Phosphonatoribosyl 1-pyrophosphateHMDB
5-Phosphonatoribosyl 1-pyrophosphoric acidHMDB
5-Phosphoribosyl 1-pyrophosphateHMDB
5-Phosphoribosyl 1-pyrophosphoric acidHMDB
Chemical FormulaC5H13O14P3
Average Molecular Weight390.066
Monoisotopic Molecular Weight389.951816093
IUPAC Name{[({3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}oxy)(hydroxy)phosphoryl]oxy}phosphonic acid
Traditional Name({3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
CAS Registry NumberNot Available
SMILES
OC1C(O)C(OP(O)(=O)OP(O)(O)=O)OC1COP(O)(O)=O
InChI Identifier
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)
InChI KeyPQGCEDQWHSBAJP-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Pentose-5-phosphate
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Tetrahydrofuran
  • 1,2-diol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility58.2 g/lALOGPS
LogP-0.78ALOGPS
Predicted Properties
PropertyValueSource
logP-0.74ALOGPS
logP-3ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)1.09ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area229.74 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity62.58 m³·mol⁻¹ChemAxon
Polarizability27.33 ųChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID1012
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1041
PDB IDNot Available
ChEBI ID58017
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available