sodium;hydrogen phosphate;dodecahydrate

H25NaO16P- — CID 18980410

IUPACsodium;hydrogen phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])O.[Na+]
InChIInChI=1S/Na.H3O4P.12H2O/c;1-5(2,3)4;;;;;;;;;;;;/h;(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;/p-2
InChIKeyTYCZGOVEQKRYGI-UHFFFAOYSA-L
MW335.15 g/mol
LogP-15.09
Rot. Bonds

About sodium;hydrogen phosphate;dodecahydrate

sodium;hydrogen phosphate;dodecahydrate (PubChem CID 18980410) has the molecular formula H25NaO16P- and a molecular weight of 335.15 g/mol. Its IUPAC name is sodium;hydrogen phosphate;dodecahydrate.

Molecular Properties

Compound Namesodium;hydrogen phosphate;dodecahydrate
PubChem CID18980410
Molecular FormulaH25NaO16P-
Molecular Weight335.15 g/mol
Exact Mass335.08
IUPAC Namesodium;hydrogen phosphate;dodecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])O.[Na+]
InChIInChI=1S/Na.H3O4P.12H2O/c;1-5(2,3)4;;;;;;;;;;;;/h;(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;/p-2
InChIKeyTYCZGOVEQKRYGI-UHFFFAOYSA-L
XLogP-15.09
TPSA461.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 5-15.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aluminum;sodium;hydrogen phosphate;hydrate
CID 138394889
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
azane;cobalt(2+);hydrogen phosphate;hydrate
CID 91886622
dialuminum;trisodium;heptakis(dihydrogen phosphate);hydrogen phosphate
CID 138394176
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
trisodium;hydrogen phosphate;methanolate
CID 174908769
sodium;dihydrogen phosphate;phosphoric acid;dodecahydrate
CID 160530469
pentasodium;hydrogen phosphate;phosphoric acid;phosphate
CID 158487659
magnesium;azane;hydrogen phosphate;dihydrate
CID 174898983

Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen phosphate;dodecahydrate?
The IUPAC name of sodium;hydrogen phosphate;dodecahydrate (CID 18980410) is sodium;hydrogen phosphate;dodecahydrate.
What is the SMILES notation for sodium;hydrogen phosphate;dodecahydrate?
The canonical SMILES for sodium;hydrogen phosphate;dodecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen phosphate;dodecahydrate?
The InChIKey is TYCZGOVEQKRYGI-UHFFFAOYSA-L. The full InChI is InChI=1S/Na.H3O4P.12H2O/c;1-5(2,3)4;;;;;;;;;;;;/h;(H3,1,2,3,4);12*1H2/q+1;;;;;;;;;;;;;/p-2.
What are the key properties of sodium;hydrogen phosphate;dodecahydrate?
sodium;hydrogen phosphate;dodecahydrate has a molecular weight of 335.15 g/mol, XLogP of -15.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen phosphate;dodecahydrate is sourced from PubChem (CID 18980410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).