sodium;dihydrogen phosphate;hydrate

H4NaO5P — CID 516949

IUPACsodium;dihydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChIKeyBBMHARZCALWXSL-UHFFFAOYSA-M
MW137.99 g/mol
LogP-5.38
Rot. Bonds

About sodium;dihydrogen phosphate;hydrate

sodium;dihydrogen phosphate;hydrate (PubChem CID 516949) has the molecular formula H4NaO5P and a molecular weight of 137.99 g/mol. Its IUPAC name is sodium;dihydrogen phosphate;hydrate.

Molecular Properties

Compound Namesodium;dihydrogen phosphate;hydrate
PubChem CID516949
Molecular FormulaH4NaO5P
Molecular Weight137.99 g/mol
Exact Mass137.97
IUPAC Namesodium;dihydrogen phosphate;hydrate
SMILESO.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChIKeyBBMHARZCALWXSL-UHFFFAOYSA-M
XLogP-5.38
TPSA112.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.99
LogP ≤ 5-5.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;dihydrogen phosphate;hydrate?
The IUPAC name of sodium;dihydrogen phosphate;hydrate (CID 516949) is sodium;dihydrogen phosphate;hydrate.
What is the SMILES notation for sodium;dihydrogen phosphate;hydrate?
The canonical SMILES for sodium;dihydrogen phosphate;hydrate is O.O=P([O-])(O)O.[Na+].
What is the InChIKey of sodium;dihydrogen phosphate;hydrate?
The InChIKey is BBMHARZCALWXSL-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1.
What are the key properties of sodium;dihydrogen phosphate;hydrate?
sodium;dihydrogen phosphate;hydrate has a molecular weight of 137.99 g/mol, XLogP of -5.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen phosphate;hydrate is sourced from PubChem (CID 516949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).