Record Information
Version1.0
Creation Date2016-05-19 01:56:48 UTC
Update Date2016-11-09 01:09:27 UTC
Accession NumberCHEM004965
Identification
Common NameCALCIUM PHOSPHATE, MONOBASIC
ClassSmall Molecule
Description
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Acid calcium phosphateChEBI
Ca(H2PO4)2ChEBI
Calcium biphosphateChEBI
Calcium bis(dihydrogen phosphate)ChEBI
Calcium dihydrogen orthophosphateChEBI
Calcium superphosphateChEBI
Monobasic calcium phosphateChEBI
Monocalcium orthophosphateChEBI
Monocalcium phosphateChEBI
Monocalcium phosphate, monobasicChEBI
Phosphoric acid, calcium salt (2:1)ChEBI
Primary calcium phosphateChEBI
Acid calcium phosphoric acidGenerator
Calcium biphosphoric acidGenerator
Calcium bis(dihydrogen phosphoric acid)Generator
Calcium dihydrogen orthophosphoric acidGenerator
Calcium superphosphoric acidGenerator
Monobasic calcium phosphoric acidGenerator
Monocalcium orthophosphoric acidGenerator
Monocalcium phosphoric acidGenerator
Monocalcium phosphoric acid, monobasicGenerator
Phosphate, calcium salt (2:1)Generator
Primary calcium phosphoric acidGenerator
Calcium phosphoric acid (1:2)Generator
Calcium phosphate, monobasicMeSH
Calcium bisphosphateMeSH
Chemical FormulaCaH4O8P2
Average Molecular Mass234.052 g/mol
Monoisotopic Mass233.901 g/mol
CAS Registry Number7758-23-8
IUPAC Namecalcium didihydrogen phosphate
Traditional Namecalcium didihydrogen phosphate
SMILES[Ca++].OP(O)([O-])=O.OP(O)([O-])=O
InChI IdentifierInChI=1S/Ca.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChI KeyYYRMJZQKEFZXMX-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal oxoanionic compounds
Sub ClassAlkaline earth metal phosphates
Direct ParentAlkaline earth metal phosphates
Alternative Parents
Substituents
  • Alkaline earth metal phosphate
  • Inorganic calcium 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-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.53 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
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 IDNot Available
FooDB IDFDB013367
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCalcium_phosphate
Chemspider IDNot Available
ChEBI ID35433
PubChem Compound ID24454
Kegg Compound IDC13556
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available