D-Ribulose (CHEM025534)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-25 22:27:17 UTC
Update Date2016-11-09 01:18:06 UTC
Accession NumberCHEM025534
Identification
Common NameD-Ribulose
ClassSmall Molecule
DescriptionThe D-stereoisomer of ribulose.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
D-ArabinoketoseChEBI
D-ArabinuloseChEBI
D-Erythro-2-pentuloseChEBI
D-Erythro-pent-2-uloseChEBI
D-RiboketoseChEBI
D-RulChEBI
D(-)-RibuloseHMDB
D-AdonoseHMDB
D-AraboketoseHMDB
D-erythro-2-KeptopentoseHMDB
D-erythro-PentuloseHMDB
D-ErythropentuloseHMDB
D-RibosoneHMDB
Ribulose, (erythro-L)-isomerMeSH, HMDB
DL-erythro-PentuloseMeSH, HMDB
RibuloseMeSH, HMDB
Ribulose, (erythro-D)-isomerMeSH, HMDB
Chemical FormulaC5H10O5
Average Molecular Mass150.130 g/mol
Monoisotopic Mass150.053 g/mol
CAS Registry Number488-84-6
IUPAC Name(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one
Traditional NameD-ribulose
SMILESOCC(O)C(O)C(=O)CO
InChI IdentifierInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
InChI KeyZAQJHHRNXZUBTE-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Beta-hydroxy ketone
  • Acyloin
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility678 g/LALOGPS
logP-2.2ALOGPS
logP-2.6ChemAxon
logS0.65ALOGPS
pKa (Strongest Acidic)10.57ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area97.99 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.6 m³·mol⁻¹ChemAxon
Polarizability13.47 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - GC-MS (1 MEOX; 4 TMS)splash10-0lk9-2940000000-d972512c3992f5630d13Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0uyi-1920000000-4abe1c31075112542e5aSpectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0uyi-1920000000-cb182758b043e586b8d1Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0lk9-2940000000-d972512c3992f5630d13Spectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0uyi-1920000000-4abe1c31075112542e5aSpectrum
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0uyi-1920000000-cb182758b043e586b8d1Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-5e0dfc74544a16cb6a2bSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positivesplash10-00e9-9182200000-14fd007ef0237ffd6a29Spectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-000i-9200000000-afb0904788db599c35edSpectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-02t9-7900000000-10c3cccbf8dbb87ffeebSpectrum
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0229-9800000000-a764f771911e773c02efSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-1900000000-9e2cd6df86b714a2a578Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9300000000-d2b653e8f893ae77c1e3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dm-9000000000-a0e9bde284b6cf02f608Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000j-9400000000-eff46a0627a1f3901e27Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-06ri-9100000000-3ed3e568d42e85a3a856Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9000000000-6e049d13c9659949bd3eSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0160638
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDC00001131
BiGG IDNot Available
BioCyc IDD-RIBULOSE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkRibulose
Chemspider IDNot Available
ChEBI ID17173
PubChem Compound ID151261
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDECMDB00621
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=22344653
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24391356
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=4928018