Tetrasodium Pyrophosphate

CAS: 7722-88-5 · H4Na4O7P2

2D Structure

Loading 3D structure...

CAS Registry Number

7722-88-5

SMILES

O=P(O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na]

InChI Key

WTXQIGCNRZDSJU-UHFFFAOYSA-N

InChI

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

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	269.93 g/mol	CAS Common Chemistry
	269.93300000000005 g/mol	RDKit
	269.933 g/mol	RDKit
	273.965 g/mol	chempirical lib
Density	2.53 g/cm³	CAS Common Chemistry
	2.534 g/cm3	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Tetrasodium_pyrophosphate	CAS Common Chemistry
Canonical SMILES	[Na].O=P(O)(O)OP(=O)(O)O	CAS Common Chemistry
InChI	InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)	CAS Common Chemistry
InChI Key	InChIKey=WTXQIGCNRZDSJU-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	988 °C	CAS Common Chemistry
Name	Tetrasodium pyrophosphate	CAS Common Chemistry
Heavy Atom Count	13	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	4	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	124.29000000000002 Å²	RDKit
	124.29 Å²	RDKit
LogP	-2.3348000000000004	RDKit
	-2.3348	RDKit
Molar Refractivity	48.1892 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	269.902302848 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 269.93 g/mol; density = 2.530 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)