mercury;phosphonato phosphate

HgO7P2-4 — CID 157352193

IUPACmercury;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Hg]
InChIInChI=1S/Hg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/p-4
InChIKeyCPDVOCQLPRIAGF-UHFFFAOYSA-J
MW374.53 g/mol
LogP-3.34
Rot. Bonds2

About mercury;phosphonato phosphate

mercury;phosphonato phosphate (PubChem CID 157352193) has the molecular formula HgO7P2-4 and a molecular weight of 374.53 g/mol. Its IUPAC name is mercury;phosphonato phosphate.

Molecular Properties

Compound Namemercury;phosphonato phosphate
PubChem CID157352193
Molecular FormulaHgO7P2-4
Molecular Weight374.53 g/mol
Exact Mass375.88
IUPAC Namemercury;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Hg]
InChIInChI=1S/Hg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/p-4
InChIKeyCPDVOCQLPRIAGF-UHFFFAOYSA-J
XLogP-3.34
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813
copper;disodium;phosphonato phosphate
CID 173106560
calcium;strontium;phosphonato phosphate
CID 22266905

Frequently Asked Questions

What is the IUPAC name of mercury;phosphonato phosphate?
The IUPAC name of mercury;phosphonato phosphate (CID 157352193) is mercury;phosphonato phosphate.
What is the SMILES notation for mercury;phosphonato phosphate?
The canonical SMILES for mercury;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[Hg].
What is the InChIKey of mercury;phosphonato phosphate?
The InChIKey is CPDVOCQLPRIAGF-UHFFFAOYSA-J. The full InChI is InChI=1S/Hg.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/p-4.
What are the key properties of mercury;phosphonato phosphate?
mercury;phosphonato phosphate has a molecular weight of 374.53 g/mol, XLogP of -3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;phosphonato phosphate is sourced from PubChem (CID 157352193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).