disodium;hydrogen phosphate;dihydrate

H5Na2O6P — CID 6451167

IUPACdisodium;hydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2
InChIKeyKDQPSPMLNJTZAL-UHFFFAOYSA-L
MW177.99 g/mol
LogP-9.83
Rot. Bonds

About disodium;hydrogen phosphate;dihydrate

disodium;hydrogen phosphate;dihydrate (PubChem CID 6451167) has the molecular formula H5Na2O6P and a molecular weight of 177.99 g/mol. Its IUPAC name is disodium;hydrogen phosphate;dihydrate.

Molecular Properties

Compound Namedisodium;hydrogen phosphate;dihydrate
PubChem CID6451167
Molecular FormulaH5Na2O6P
Molecular Weight177.99 g/mol
Exact Mass177.96
IUPAC Namedisodium;hydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2
InChIKeyKDQPSPMLNJTZAL-UHFFFAOYSA-L
XLogP-9.83
TPSA146.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.99
LogP ≤ 5-9.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen phosphate;dihydrate?
The IUPAC name of disodium;hydrogen phosphate;dihydrate (CID 6451167) is disodium;hydrogen phosphate;dihydrate.
What is the SMILES notation for disodium;hydrogen phosphate;dihydrate?
The canonical SMILES for disodium;hydrogen phosphate;dihydrate is O.O.O=P([O-])([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;hydrogen phosphate;dihydrate?
The InChIKey is KDQPSPMLNJTZAL-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2.
What are the key properties of disodium;hydrogen phosphate;dihydrate?
disodium;hydrogen phosphate;dihydrate has a molecular weight of 177.99 g/mol, XLogP of -9.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen phosphate;dihydrate is sourced from PubChem (CID 6451167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).