sodium;dihydrogen phosphate;dihydrate

H6NaO6P — CID 23673460

IUPACsodium;dihydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKeyVBJGJHBYWREJQD-UHFFFAOYSA-M
MW156.01 g/mol
LogP-6.21
Rot. Bonds

About sodium;dihydrogen phosphate;dihydrate

sodium;dihydrogen phosphate;dihydrate (PubChem CID 23673460) has the molecular formula H6NaO6P and a molecular weight of 156.01 g/mol. Its IUPAC name is sodium;dihydrogen phosphate;dihydrate.

Molecular Properties

Compound Namesodium;dihydrogen phosphate;dihydrate
PubChem CID23673460
Molecular FormulaH6NaO6P
Molecular Weight156.01 g/mol
Exact Mass155.98
IUPAC Namesodium;dihydrogen phosphate;dihydrate
SMILESO.O.O=P([O-])(O)O.[Na+]
InChIInChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1
InChIKeyVBJGJHBYWREJQD-UHFFFAOYSA-M
XLogP-6.21
TPSA143.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.01
LogP ≤ 5-6.21
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;dihydrate?
The IUPAC name of sodium;dihydrogen phosphate;dihydrate (CID 23673460) is sodium;dihydrogen phosphate;dihydrate.
What is the SMILES notation for sodium;dihydrogen phosphate;dihydrate?
The canonical SMILES for sodium;dihydrogen phosphate;dihydrate is O.O.O=P([O-])(O)O.[Na+].
What is the InChIKey of sodium;dihydrogen phosphate;dihydrate?
The InChIKey is VBJGJHBYWREJQD-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+1;;;/p-1.
What are the key properties of sodium;dihydrogen phosphate;dihydrate?
sodium;dihydrogen phosphate;dihydrate has a molecular weight of 156.01 g/mol, XLogP of -6.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen phosphate;dihydrate is sourced from PubChem (CID 23673460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).