tetrapotassium;tetrasodium;phosphonato phosphate

K4Na4O14P4 — CID 19872331

IUPACtetrapotassium;tetrasodium;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4K.4Na.2H4O7P2/c;;;;;;;;2*1-8(2,3)7-9(4,5)6/h;;;;;;;;2*(H2,1,2,3)(H2,4,5,6)/q8*+1;;/p-8
InChIKeyDYGIBTVGKRTDPP-UHFFFAOYSA-F
MW596.23 g/mol
LogP-30.65
Rot. Bonds4

About tetrapotassium;tetrasodium;phosphonato phosphate

tetrapotassium;tetrasodium;phosphonato phosphate (PubChem CID 19872331) has the molecular formula K4Na4O14P4 and a molecular weight of 596.23 g/mol. Its IUPAC name is tetrapotassium;tetrasodium;phosphonato phosphate.

Molecular Properties

Compound Nametetrapotassium;tetrasodium;phosphonato phosphate
PubChem CID19872331
Molecular FormulaK4Na4O14P4
Molecular Weight596.23 g/mol
Exact Mass595.64
IUPAC Nametetrapotassium;tetrasodium;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/4K.4Na.2H4O7P2/c;;;;;;;;2*1-8(2,3)7-9(4,5)6/h;;;;;;;;2*(H2,1,2,3)(H2,4,5,6)/q8*+1;;/p-8
InChIKeyDYGIBTVGKRTDPP-UHFFFAOYSA-F
XLogP-30.65
TPSA271.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.23
LogP ≤ 5-30.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'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
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193
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 tetrapotassium;tetrasodium;phosphonato phosphate?
The IUPAC name of tetrapotassium;tetrasodium;phosphonato phosphate (CID 19872331) is tetrapotassium;tetrasodium;phosphonato phosphate.
What is the SMILES notation for tetrapotassium;tetrasodium;phosphonato phosphate?
The canonical SMILES for tetrapotassium;tetrasodium;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrapotassium;tetrasodium;phosphonato phosphate?
The InChIKey is DYGIBTVGKRTDPP-UHFFFAOYSA-F. The full InChI is InChI=1S/4K.4Na.2H4O7P2/c;;;;;;;;2*1-8(2,3)7-9(4,5)6/h;;;;;;;;2*(H2,1,2,3)(H2,4,5,6)/q8*+1;;/p-8.
What are the key properties of tetrapotassium;tetrasodium;phosphonato phosphate?
tetrapotassium;tetrasodium;phosphonato phosphate has a molecular weight of 596.23 g/mol, XLogP of -30.65, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;tetrasodium;phosphonato phosphate is sourced from PubChem (CID 19872331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).