Calcium phosphate, tribasicProduct ingredient for Calcium Phosphate

Name
Calcium phosphate, tribasic
Drug Entry
Calcium Phosphate

Calcium phosphate is typically available as an over the counter supplement, antacid, or as an added ingredient in some toothpastes Label 3.

Accession Number
DBSALT002431
Structure
Synonyms
Calcium orthophosphate / Calcium tertiary phosphate / Tertiary calcium phosphate / Tribasic calcium phosphate / tricalcium bis(phosphate) / Tricalcium diphosphate / Tricalcium orthophosphate / Tricalcium phosphate
UNII
K4C08XP666
CAS Number
7758-87-4
Weight
Average: 310.177
Monoisotopic: 309.794613465
Chemical Formula
Ca3O8P2
InChI Key
QORWJWZARLRLPR-UHFFFAOYSA-H
InChI
InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
IUPAC Name
tricalcium diphosphate
SMILES
[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O
KEGG Compound
C08136
ChemSpider
22864
ChEBI
9679
ChEMBL
CHEMBL2106566
Predicted Properties
PropertyValueSource
Water Solubility48.8 mg/mLALOGPS
logP0.41ALOGPS
logP-1Chemaxon
logS-0.8ALOGPS
pKa (Strongest Acidic)1.8Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area86.25 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity11.29 m3·mol-1Chemaxon
Polarizability4.93 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon