Calcium Phosphate Dibasic Dihydrate

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CAS Number

7789-77-7

Synonyms

Calcium hydrogenphosphate dihydrate

Molecular Formula

Ca. HO4P. 2 H2O

Molecular Weight

136.06; 2 (18.02)

API Name

Phosphate

Chemical Information

Brushite

Calcium hydrogenphosphate dihydrate is a calcium salt and a hydrate.

CAS Number	7789-77-7
PubChem CID	104805
IUPAC Name	calcium;hydrogen phosphate;dihydrate
Molecular Formula	CaH5O6P
Molecular Weight	172.09
Topological Polar Surface Area	85.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	46

SMILES

O.O.OP(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/Ca.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+2;;;/p-2

InChIKey

XAAHAAMILDNBPS-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 7789-77-7

CID: 104805

Formula: CaH5O6P

MW: 172.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.09
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	171.9449657
Monoisotopic Mass	171.9449657
Topological Polar Surface Area	85.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

Catalog	Name
AR-A04748-01	Calcium L-ascorbate dihydrate
AR-P01812-01	Disodium Hydrogen Phosphate Dihydrate
AR-P01810-01	Calcium Hydrogen Phosphate
AR-G01539-01	Glycerol Phosphate Calcium Salt
AR-R01525-01	Riboflavin-5'-phosphate Sodium Salt Dihydrate (Purity >70%)
AR-M03629-01	Aluminum acetate dibasic
AR-E08910-01	Enalaprilat Dihydrate
AR-A03275-01	Azithromycin Dihydrate
AR-O08813-01	Oxytetracycline Dihydrate
AR-T02824-01	Trehalose Dihydrate

Catalog	Name
40300036-2	Calcium Phosphate Dibasic Dihydrate
CB0262	Calcium phosphate, dibasic, dihydrate
77793-01	Calcium Phosphate Dibasic Dihydrate extrapure, 98%
TRC-S224500-5G	Sodium Phosphate Dibasic Dihydrate
581323	Calcium phosphate, dibasic
40121240-1	Calcium Phosphate Dibasic