azanium;zinc;dihydrogen phosphate;oxygen(2-)

H6NO5PZn — CID 160778942

IUPACazanium;zinc;dihydrogen phosphate;oxygen(2-)
SMILESO=P([O-])(O)O.[NH4+].[O-2].[Zn+2]
InChIInChI=1S/H3N.H3O4P.O.Zn/c;1-5(2,3)4;;/h1H3;(H3,1,2,3,4);;/q;;-2;+2
InChIKeySAHXRFGSRBBCQT-UHFFFAOYSA-N
MW196.41 g/mol
LogP-1.31
Rot. Bonds

About azanium;zinc;dihydrogen phosphate;oxygen(2-)

azanium;zinc;dihydrogen phosphate;oxygen(2-) (PubChem CID 160778942) has the molecular formula H6NO5PZn and a molecular weight of 196.41 g/mol. Its IUPAC name is azanium;zinc;dihydrogen phosphate;oxygen(2-).

Molecular Properties

Compound Nameazanium;zinc;dihydrogen phosphate;oxygen(2-)
PubChem CID160778942
Molecular FormulaH6NO5PZn
Molecular Weight196.41 g/mol
Exact Mass194.93
IUPAC Nameazanium;zinc;dihydrogen phosphate;oxygen(2-)
SMILESO=P([O-])(O)O.[NH4+].[O-2].[Zn+2]
InChIInChI=1S/H3N.H3O4P.O.Zn/c;1-5(2,3)4;;/h1H3;(H3,1,2,3,4);;/q;;-2;+2
InChIKeySAHXRFGSRBBCQT-UHFFFAOYSA-N
XLogP-1.31
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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zinc bis(dihydrogen phosphate)
CID 11253952
tris(dihydrogen phosphate);oxygen(2-);vanadium
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dihydrogen phosphate;oxygen(2-);ytterbium(3+)
CID 158954698
zinc;dihydrogen phosphate;fluoride
CID 160735585
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
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CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
diazanium;magnesium;azane;hydrogen phosphate;oxygen(2-)
CID 173341212
lithium;dihydrogen phosphate;hydrate
CID 162740181
magnesium;dihydrogen phosphate;tetrahydrate
CID 23118847

Frequently Asked Questions

What is the IUPAC name of azanium;zinc;dihydrogen phosphate;oxygen(2-)?
The IUPAC name of azanium;zinc;dihydrogen phosphate;oxygen(2-) (CID 160778942) is azanium;zinc;dihydrogen phosphate;oxygen(2-).
What is the SMILES notation for azanium;zinc;dihydrogen phosphate;oxygen(2-)?
The canonical SMILES for azanium;zinc;dihydrogen phosphate;oxygen(2-) is O=P([O-])(O)O.[NH4+].[O-2].[Zn+2].
What is the InChIKey of azanium;zinc;dihydrogen phosphate;oxygen(2-)?
The InChIKey is SAHXRFGSRBBCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N.H3O4P.O.Zn/c;1-5(2,3)4;;/h1H3;(H3,1,2,3,4);;/q;;-2;+2.
What are the key properties of azanium;zinc;dihydrogen phosphate;oxygen(2-)?
azanium;zinc;dihydrogen phosphate;oxygen(2-) has a molecular weight of 196.41 g/mol, XLogP of -1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;zinc;dihydrogen phosphate;oxygen(2-) is sourced from PubChem (CID 160778942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).