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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as:

Molecular Formula

Ca₂H₄O₆P+

Molecular Weight

211.16 g/mol

InChI Key

RBLGLDWTCZMLRW-UHFFFAOYSA-K

1 2D Structure

Di-Calcium Phosphate Di-Hydrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dicalcium;phosphate;dihydrate

2.1.2 InChI

InChI=1S/2Ca.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+2;;;/p-3

2.1.3 InChI Key

RBLGLDWTCZMLRW-UHFFFAOYSA-K

2.1.4 Canonical SMILES

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

2.2 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	Ca₂H₄O₆P+
Molecular Weight	211.16 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	210.8997315 g/mol
Monoisotopic Mass	210.8997315 g/mol
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	9
Formal Charge	1
Complexity	36.8
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	5