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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Tetrapotassium peroxodiphosphate, Dtxsid001337408, [alpha,beta-peroxy]diphosphoric acid tetrapotassium salt

Molecular Formula

K₄O₈P₂

Molecular Weight

346.34 g/mol

InChI Key

YVDPOVXIRVBNAL-UHFFFAOYSA-J

1 2D Structure

Tetrapotaium Peroxydiphosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tetrapotassium;phosphonatooxy phosphate

2.1.2 InChI

InChI=1S/4K.H4O8P2/c;;;;1-9(2,3)7-8-10(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

2.1.3 InChI Key

YVDPOVXIRVBNAL-UHFFFAOYSA-J

2.1.4 Canonical SMILES

[O-]P(=O)([O-])OOP(=O)([O-])[O-].[K+].[K+].[K+].[K+]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tetra-k-peroxydiphosphate

2. Tetrapotassium Peroxydiphosphate

2.2.2 Depositor-Supplied Synonyms

1. Tetrapotassium Peroxodiphosphate

2. Dtxsid001337408

3. [alpha,beta-peroxy]diphosphoric Acid Tetrapotassium Salt

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	K₄O₈P₂
Molecular Weight	346.34 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	345.7616669 g/mol
Monoisotopic Mass	345.7616669 g/mol
Topological Polar Surface Area	145 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	134
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