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Chemical substance record

Diphosphoric acid

2466-09-3H₄O₇P₂177.973 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. — ChEBI

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Identity & molecular properties

Source-linked values

CAS number	2466-09-3	ChEBI ↗
Molecular formula	H₄O₇P₂	ChEBI ↗
Molar mass	177.973 g/mol	ChEBI ↗
Monoisotopic mass	177.94323 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:29888	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	177.98 g/mol	PubChem ↗
Exact mass	177.94322646 Da	PubChem ↗
Computed XLogP	-3.2	PubChem ↗
Topological polar surface area (Å²)	124	PubChem ↗
H-bond donors	4	PubChem ↗
H-bond acceptors	7	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

diphosphoric acid

IUPAC name

1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena

InChIKey

XPPKVPWEQAFLFU-UHFFFAOYSA-N

SMILES

O=P(O)(O)OP(=O)(O)O

InChI

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

Names & synonyms

1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catenamu-oxido-bis(dihydroxidooxidophosphorus)

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

phosphorus oxoacidChEBI parent class · 33457 ↗acyclic phosphorus acid anhydrideChEBI parent class · 37786 ↗

organic molecular entity

Roles recorded in ChEBI

Escherichia coli metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00561883 mol

Uses 177.973 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

O

Oxygen · 7 atoms

62.93%

P

Phosphorus · 2 atoms

34.81%

H

Hydrogen · 4 atoms

2.27%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

The intracellular concentration of pyrophosphate in the batch culture of Escherichia coli. ↗European journal of biochemistry · 1982 Oct · PMID 6291941

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:29888

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1023 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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