pentasodium;phosphonato phosphate;hydroxide

HNa5O8P2 — CID 158792062

IUPACpentasodium;phosphonato phosphate;hydroxide
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/5Na.H4O7P2.H2O/c;;;;;1-8(2,3)7-9(4,5)6;/h;;;;;(H2,1,2,3)(H2,4,5,6);1H2/q5*+1;;/p-5
InChIKeyISKBHNVAUOIYIA-UHFFFAOYSA-I
MW305.90 g/mol
LogP-18.50
Rot. Bonds2

About pentasodium;phosphonato phosphate;hydroxide

pentasodium;phosphonato phosphate;hydroxide (PubChem CID 158792062) has the molecular formula HNa5O8P2 and a molecular weight of 305.90 g/mol. Its IUPAC name is pentasodium;phosphonato phosphate;hydroxide.

Molecular Properties

Compound Namepentasodium;phosphonato phosphate;hydroxide
PubChem CID158792062
Molecular FormulaHNa5O8P2
Molecular Weight305.90 g/mol
Exact Mass305.86
IUPAC Namepentasodium;phosphonato phosphate;hydroxide
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[OH-]
InChIInChI=1S/5Na.H4O7P2.H2O/c;;;;;1-8(2,3)7-9(4,5)6;/h;;;;;(H2,1,2,3)(H2,4,5,6);1H2/q5*+1;;/p-5
InChIKeyISKBHNVAUOIYIA-UHFFFAOYSA-I
XLogP-18.50
TPSA165.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.90
LogP ≤ 5-18.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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phosphonato phosphate
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tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
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CID 56846460
mercury;phosphonato phosphate
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pentasodium;phosphonato phosphate;fluoride
CID 23202687
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Frequently Asked Questions

What is the IUPAC name of pentasodium;phosphonato phosphate;hydroxide?
The IUPAC name of pentasodium;phosphonato phosphate;hydroxide (CID 158792062) is pentasodium;phosphonato phosphate;hydroxide.
What is the SMILES notation for pentasodium;phosphonato phosphate;hydroxide?
The canonical SMILES for pentasodium;phosphonato phosphate;hydroxide is O=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[OH-].
What is the InChIKey of pentasodium;phosphonato phosphate;hydroxide?
The InChIKey is ISKBHNVAUOIYIA-UHFFFAOYSA-I. The full InChI is InChI=1S/5Na.H4O7P2.H2O/c;;;;;1-8(2,3)7-9(4,5)6;/h;;;;;(H2,1,2,3)(H2,4,5,6);1H2/q5*+1;;/p-5.
What are the key properties of pentasodium;phosphonato phosphate;hydroxide?
pentasodium;phosphonato phosphate;hydroxide has a molecular weight of 305.90 g/mol, XLogP of -18.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;phosphonato phosphate;hydroxide is sourced from PubChem (CID 158792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).