sodium dihydrogen phosphate

H2NaO4P — CID 24204

IUPACsodium dihydrogen phosphate
SMILESO=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChIKeyAJPJDKMHJJGVTQ-UHFFFAOYSA-M
MW119.98 g/mol
LogP-4.56
Rot. Bonds

About sodium dihydrogen phosphate

sodium dihydrogen phosphate (PubChem CID 24204) has the molecular formula H2NaO4P and a molecular weight of 119.98 g/mol. Its IUPAC name is sodium dihydrogen phosphate.

Molecular Properties

Compound Namesodium dihydrogen phosphate
PubChem CID24204
Molecular FormulaH2NaO4P
Molecular Weight119.98 g/mol
Exact Mass119.96
IUPAC Namesodium dihydrogen phosphate
SMILESO=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChIKeyAJPJDKMHJJGVTQ-UHFFFAOYSA-M
XLogP-4.56
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.98
LogP ≤ 5-4.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphoric Acid
CID 1004
Sodium Phosphate, Dibasic
CID 24203
Monosodium phosphate
CID 23672064
Sodium Phosphate P-32
CID 71180
Sodium Phosphate, Monobasic, Dihydrate
CID 23673460
Dihydrogenphosphate
CID 1003
Sodium Phosphate, Monobasic, Monohydrate
CID 516949
(3H)Phosphoric acid
CID 3084191
Sodium hypophosphite monohydrate
CID 23708894
Hydrogen phosphate
CID 3681305
Hydrogen phosphate;hydron
CID 172995034
Dihydrogen phosphate;hydron
CID 173209996

Frequently Asked Questions

What is the IUPAC name of sodium dihydrogen phosphate?
The IUPAC name of sodium dihydrogen phosphate (CID 24204) is sodium dihydrogen phosphate.
What is the SMILES notation for sodium dihydrogen phosphate?
The canonical SMILES for sodium dihydrogen phosphate is O=P([O-])(O)O.[Na+].
What is the InChIKey of sodium dihydrogen phosphate?
The InChIKey is AJPJDKMHJJGVTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1.
What are the key properties of sodium dihydrogen phosphate?
sodium dihydrogen phosphate has a molecular weight of 119.98 g/mol, XLogP of -4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dihydrogen phosphate is sourced from PubChem (CID 24204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).