pentasodium;phosphonato phosphate;fluoride

FNa5O7P2 — CID 23202687

IUPACpentasodium;phosphonato phosphate;fluoride
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[F-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/FH.5Na.H4O7P2/c;;;;;;1-8(2,3)7-9(4,5)6/h1H;;;;;;(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5
InChIKeyGXNLDYPOJABIQD-UHFFFAOYSA-I
MW307.89 g/mol
LogP-21.32
Rot. Bonds2

About pentasodium;phosphonato phosphate;fluoride

pentasodium;phosphonato phosphate;fluoride (PubChem CID 23202687) has the molecular formula FNa5O7P2 and a molecular weight of 307.89 g/mol. Its IUPAC name is pentasodium;phosphonato phosphate;fluoride.

Molecular Properties

Compound Namepentasodium;phosphonato phosphate;fluoride
PubChem CID23202687
Molecular FormulaFNa5O7P2
Molecular Weight307.89 g/mol
Exact Mass307.86
IUPAC Namepentasodium;phosphonato phosphate;fluoride
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[F-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/FH.5Na.H4O7P2/c;;;;;;1-8(2,3)7-9(4,5)6/h1H;;;;;;(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5
InChIKeyGXNLDYPOJABIQD-UHFFFAOYSA-I
XLogP-21.32
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.89
LogP ≤ 5-21.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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;decahydrate
CID 22385493
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
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 pentasodium;phosphonato phosphate;fluoride?
The IUPAC name of pentasodium;phosphonato phosphate;fluoride (CID 23202687) is pentasodium;phosphonato phosphate;fluoride.
What is the SMILES notation for pentasodium;phosphonato phosphate;fluoride?
The canonical SMILES for pentasodium;phosphonato phosphate;fluoride is O=P([O-])([O-])OP(=O)([O-])[O-].[F-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;phosphonato phosphate;fluoride?
The InChIKey is GXNLDYPOJABIQD-UHFFFAOYSA-I. The full InChI is InChI=1S/FH.5Na.H4O7P2/c;;;;;;1-8(2,3)7-9(4,5)6/h1H;;;;;;(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5.
What are the key properties of pentasodium;phosphonato phosphate;fluoride?
pentasodium;phosphonato phosphate;fluoride has a molecular weight of 307.89 g/mol, XLogP of -21.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;phosphonato phosphate;fluoride is sourced from PubChem (CID 23202687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).