Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120483
Identification
Name: uridine 2'3'-cyclic monophosphate
Description:A 2',3'-cyclic nucleotide(1−) which is obtained from 2',3'-cyclic UMP by removal of a proton from the cyclic phosphate group.
Structure
Thumb
Synonyms:
  • 2',3'-Cyclic UMP
Chemical Formula: C9H10N2O8P
Average Molecular Weight: 305.16
Monoisotopic Molecular Weight: 306.0253
InChI Key: HWDMHJDYMFRXOX-XVFCMESISA-M
InChI:InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/p-1/t4-,6-,7-,8-/m1/s1
CAS number: 40632-52-8
IUPAC Name:uridine 2',3'-phosphate
Traditional IUPAC Name: 2',3'-cyclic ump
SMILES:C1(=CN(C(=O)NC(=O)1)C3(OC(CO)C2(OP(=O)([O-])OC23)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 2',3'-cyclic pyrimidine nucleotides. These are pyrimidine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Pyrimidine nucleotides
Sub ClassCyclic pyrimidine nucleotides
Direct Parent 2',3'-cyclic pyrimidine nucleotides
Alternative Parents
Substituents
  • 2',3'-cyclic pyrimidine ribonucleotide
  • Ribonucleoside 3'-phosphate
  • Pyrimidone
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Pyrimidine
  • 1,3_dioxaphospholane
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Vinylogous amide
  • Urea
  • Lactam
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility20.8 mg/mLALOGPS
logP-1.3ALOGPS
logP-1.6ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)1.76ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area134.63 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity59.66 m3·mol-1ChemAxon
Polarizability24.7 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra:
    Spectrum TypeDescriptionSplash Key
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-1901000000-0d360d67bf767c95b2c9View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-5900000000-a9897f40443893ba5342View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-08fu-9400000000-239eade290faab347bc0View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0bt9-5497000000-784d39c6cdcea534b626View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01ox-9440000000-c6d0dde6755d0f4cdb28View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9100000000-0c839a884da572f801c3View in MoNA
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    METABOLIGHTSMTBLC60873
    HMDBHMDB11640
    BIGG39676
    CHEMSPIDER10463759
    CHEBI60873
    PUBCHEM23421171
    LIGAND-CPDC02355