sodium;dihydrogen phosphate;pentahydrate

H12NaO9P — CID 141311131

IUPACsodium;dihydrogen phosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.5H2O/c;1-5(2,3)4;;;;;/h;(H3,1,2,3,4);5*1H2/q+1;;;;;;/p-1
InChIKeyBSSDGASZSOHDLM-UHFFFAOYSA-M
MW210.05 g/mol
LogP-8.68
Rot. Bonds

About sodium;dihydrogen phosphate;pentahydrate

sodium;dihydrogen phosphate;pentahydrate (PubChem CID 141311131) has the molecular formula H12NaO9P and a molecular weight of 210.05 g/mol. Its IUPAC name is sodium;dihydrogen phosphate;pentahydrate.

Molecular Properties

Compound Namesodium;dihydrogen phosphate;pentahydrate
PubChem CID141311131
Molecular FormulaH12NaO9P
Molecular Weight210.05 g/mol
Exact Mass210.01
IUPAC Namesodium;dihydrogen phosphate;pentahydrate
SMILESO.O.O.O.O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.5H2O/c;1-5(2,3)4;;;;;/h;(H3,1,2,3,4);5*1H2/q+1;;;;;;/p-1
InChIKeyBSSDGASZSOHDLM-UHFFFAOYSA-M
XLogP-8.68
TPSA238.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.05
LogP ≤ 5-8.68
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

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lithium;dihydrogen phosphate;hydrate
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calcium;sodium;dihydrogen phosphate;dichloride
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Frequently Asked Questions

What is the IUPAC name of sodium;dihydrogen phosphate;pentahydrate?
The IUPAC name of sodium;dihydrogen phosphate;pentahydrate (CID 141311131) is sodium;dihydrogen phosphate;pentahydrate.
What is the SMILES notation for sodium;dihydrogen phosphate;pentahydrate?
The canonical SMILES for sodium;dihydrogen phosphate;pentahydrate is O.O.O.O.O.O=P([O-])(O)O.[Na+].
What is the InChIKey of sodium;dihydrogen phosphate;pentahydrate?
The InChIKey is BSSDGASZSOHDLM-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H3O4P.5H2O/c;1-5(2,3)4;;;;;/h;(H3,1,2,3,4);5*1H2/q+1;;;;;;/p-1.
What are the key properties of sodium;dihydrogen phosphate;pentahydrate?
sodium;dihydrogen phosphate;pentahydrate has a molecular weight of 210.05 g/mol, XLogP of -8.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen phosphate;pentahydrate is sourced from PubChem (CID 141311131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).