pentasodium;hydrogen phosphate;phosphoric acid;phosphate

H7Na5O16P4 — CID 158487659

IUPACpentasodium;hydrogen phosphate;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5Na.4H3O4P/c;;;;;4*1-5(2,3)4/h;;;;;4*(H3,1,2,3,4)/q5*+1;;;;/p-5
InChIKeyHIHLMDZTBAGHTO-UHFFFAOYSA-I
MW501.89 g/mol
LogP-21.85
Rot. Bonds

About pentasodium;hydrogen phosphate;phosphoric acid;phosphate

pentasodium;hydrogen phosphate;phosphoric acid;phosphate (PubChem CID 158487659) has the molecular formula H7Na5O16P4 and a molecular weight of 501.89 g/mol. Its IUPAC name is pentasodium;hydrogen phosphate;phosphoric acid;phosphate.

Molecular Properties

Compound Namepentasodium;hydrogen phosphate;phosphoric acid;phosphate
PubChem CID158487659
Molecular FormulaH7Na5O16P4
Molecular Weight501.89 g/mol
Exact Mass501.82
IUPAC Namepentasodium;hydrogen phosphate;phosphoric acid;phosphate
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/5Na.4H3O4P/c;;;;;4*1-5(2,3)4/h;;;;;4*(H3,1,2,3,4)/q5*+1;;;;/p-5
InChIKeyHIHLMDZTBAGHTO-UHFFFAOYSA-I
XLogP-21.85
TPSA325.19 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.89
LogP ≤ 5-21.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

trisodium;phosphoric acid;phosphate
CID 172853200
calcium;sodium;phosphoric acid;phosphate
CID 173179477
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
disodium;hydrogen phosphate;phosphoric acid;dodecahydrate
CID 174809343
pentaaluminum;hydrogen phosphate;triphosphate
CID 174876626
trilithium;phosphoric acid;phosphate
CID 158468021
decaaluminum;phosphoric acid;decaphosphate
CID 173424288
triazanium;phosphoric acid;phosphate
CID 18943137
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
triacontacalcium;phosphoric acid;icosaphosphate
CID 173080509
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
azanium;sodium;hydrogen phosphate;tetrahydrate
CID 56924540

Frequently Asked Questions

What is the IUPAC name of pentasodium;hydrogen phosphate;phosphoric acid;phosphate?
The IUPAC name of pentasodium;hydrogen phosphate;phosphoric acid;phosphate (CID 158487659) is pentasodium;hydrogen phosphate;phosphoric acid;phosphate.
What is the SMILES notation for pentasodium;hydrogen phosphate;phosphoric acid;phosphate?
The canonical SMILES for pentasodium;hydrogen phosphate;phosphoric acid;phosphate is O=P(O)(O)O.O=P(O)(O)O.O=P([O-])([O-])O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;hydrogen phosphate;phosphoric acid;phosphate?
The InChIKey is HIHLMDZTBAGHTO-UHFFFAOYSA-I. The full InChI is InChI=1S/5Na.4H3O4P/c;;;;;4*1-5(2,3)4/h;;;;;4*(H3,1,2,3,4)/q5*+1;;;;/p-5.
What are the key properties of pentasodium;hydrogen phosphate;phosphoric acid;phosphate?
pentasodium;hydrogen phosphate;phosphoric acid;phosphate has a molecular weight of 501.89 g/mol, XLogP of -21.85, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;hydrogen phosphate;phosphoric acid;phosphate is sourced from PubChem (CID 158487659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).