Hydrocyanite (CHEM029286)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-26 01:03:58 UTC
Update Date2016-11-09 01:18:51 UTC
Accession NumberCHEM029286
Identification
Common NameHydrocyanite
ClassSmall Molecule
DescriptionThe pentahydrate of copper(2+) sulfate. A bright blue crystalline solid.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Copper sulphate(5.H2O)ChEBI
Copper(II) sulfate, pentahydrateChEBI
Copper(2+) sulfate (1:1) pentahydrateChEBI
Cupric sulfateChEBI
Cupric sulfate pentahydrateChEBI
CuSO4.5H2OChEBI
Copper sulfate(5.H2O)Generator
Copper sulfuric acid(5.H2O)Generator
Copper sulphuric acid(5.H2O)Generator
Copper(II) sulfuric acid, pentahydric acidGenerator
Copper(II) sulphate, pentahydrateGenerator
Copper(II) sulphuric acid, pentahydric acidGenerator
Copper(2+) sulfuric acid (1:1) pentahydric acidGenerator
Copper(2+) sulphate (1:1) pentahydrateGenerator
Copper(2+) sulphuric acid (1:1) pentahydric acidGenerator
Cupric sulfuric acidGenerator
Cupric sulphateGenerator
Cupric sulphuric acidGenerator
Cupric sulfuric acid pentahydric acidGenerator
Cupric sulphate pentahydrateGenerator
Cupric sulphuric acid pentahydric acidGenerator
Sulfate, cupricMeSH
Vitriol, blueMeSH
Blue vitriolMeSH
Sulfate, copperMeSH
Copper sulfateMeSH
Chemical FormulaCuH10O9S
Average Molecular Mass249.685 g/mol
Monoisotopic Mass248.934 g/mol
CAS Registry Number7758-99-8
IUPAC Namecopper(2+) ion pentahydrate sulfate
Traditional Namecopper(2+) ion pentahydrate sulfate
SMILESO.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O
InChI IdentifierInChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2
InChI KeyJZCCFEFSEZPSOG-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
Sub ClassTransition metal sulfates
Direct ParentTransition metal sulfates
Alternative Parents
Substituents
  • Transition metal sulfate
  • Inorganic copper salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
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
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-f7e33651534b29e8fb34Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0090000000-f7e33651534b29e8fb34Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-0090000000-f7e33651534b29e8fb34Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-0090000000-9c747941898ce6cc53f1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-0090000000-9c747941898ce6cc53f1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-0090000000-9c747941898ce6cc53f1Spectrum
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 IDDBSALT002501
HMDB IDHMDB0035378
FooDB IDFDB014052
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCopper(II)_sulfate
Chemspider IDNot Available
ChEBI ID31440
PubChem Compound ID24463
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11407502
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=12209195
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=12484481
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=15040745
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=15607472
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=15824790
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=19346702
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=2002460
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=20132934
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=2913309
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=3351847
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=7615984
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=8878264
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=9521458
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=9776063