Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB004852
Identification
Name: alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate
Description:A ribose bisphosphate that is the cyclic-1,2-phosphate derivative of 5-phospho-α-D-ribose
Structure
Thumb
Synonyms:
  • 5-O-phosphono-a-D-Ribofuranose 1,2-(hydrogen phosphate)
  • 5-O-phosphono-a-D-Ribofuranose 1,2-(hydrogen phosphoric acid)
  • 5-O-phosphono-alpha-D-Ribofuranose 1,2-(hydrogen phosphate)
  • 5-O-phosphono-alpha-D-Ribofuranose 1,2-(hydrogen phosphoric acid)
  • 5-O-phosphono-α-D-ribofuranose 1,2-(hydrogen phosphate)
  • 5-O-phosphono-α-D-ribofuranose 1,2-(hydrogen phosphoric acid)
  • a-D-Ribose 1,2-cyclic phosphate 5-phosphate
  • a-D-Ribose 1,2-cyclic phosphoric acid 5-phosphoric acid
  • alpha-D-Ribose 1,2-cyclic phosphoric acid 5-phosphoric acid
  • PRCP
  • α-D-ribose 1,2-cyclic phosphate 5-phosphate
  • α-D-Ribose 1,2-cyclic phosphate 5-phosphate
  • α-D-ribose 1,2-cyclic phosphoric acid 5-phosphoric acid
  • α-D-Ribose 1,2-cyclic phosphoric acid 5-phosphoric acid
Chemical Formula: C5H10O10P2
Average Molecular Weight: 292.073
Monoisotopic Molecular Weight: 291.974920518
InChI Key: OXGUIUWFXGIWNM-TXICZTDVSA-N
InChI:InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1
CAS number: Not Available
IUPAC Name:{[(3aR,5R,6R,6aR)-2,6-dihydroxy-2-oxo-tetrahydro-2H-2???furo[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}phosphonic acid
Traditional IUPAC Name: [(3aR,5R,6R,6aR)-2,6-dihydroxy-2-oxo-tetrahydro-2???furo[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxyphosphonic acid
SMILES:O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]2OP(O)(=O)O[C@H]12
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassOrganooxygen compounds
Class Carbohydrates and carbohydrate conjugates
Sub ClassMonosaccharides
Direct Parent Pentose phosphates
Alternative Parents
Substituents
  • Pentose-5-phosphate
  • Pentose phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Organic phosphate
  • Oxolane
  • 1,3_dioxaphospholane
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular Framework Aliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility20.6 mg/mLALOGPS
logP-1.2ALOGPS
logP-1.7ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.04ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area151.98 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.93 m3·mol-1ChemAxon
Polarizability21.28 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways:
  • Phosphonate and phosphinate metabolism pae00440
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0007-1690000000-d822c489f37b24ff2975View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-6950000000-ffcb5885e5ecb4a2905aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0005-9400000000-03837736df41b9fe2d72View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-002f-6190000000-409357fcff55c5c65e9eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9010000000-43b002ba2f4ac1d81b59View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-f05162e8bfcafc437f6eView in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID68689
HMDB IDNot Available
Pubchem Compound ID14035690
Kegg IDC20440
ChemSpider ID28533269
Wikipedia IDNot Available
BioCyc IDNot Available