disodium;phosphono dihydrogen phosphate;phosphono phosphate

H6Na2O14P4 — CID 173430814

IUPACdisodium;phosphono dihydrogen phosphate;phosphono phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.2H4O7P2/c;;2*1-8(2,3)7-9(4,5)6/h;;2*(H2,1,2,3)(H2,4,5,6)/q2*+1;;/p-2
InChIKeyLEHDGUKAPKDXGH-UHFFFAOYSA-L
MW399.91 g/mol
LogP-8.88
Rot. Bonds4

About disodium;phosphono dihydrogen phosphate;phosphono phosphate

disodium;phosphono dihydrogen phosphate;phosphono phosphate (PubChem CID 173430814) has the molecular formula H6Na2O14P4 and a molecular weight of 399.91 g/mol. Its IUPAC name is disodium;phosphono dihydrogen phosphate;phosphono phosphate.

Molecular Properties

Compound Namedisodium;phosphono dihydrogen phosphate;phosphono phosphate
PubChem CID173430814
Molecular FormulaH6Na2O14P4
Molecular Weight399.91 g/mol
Exact Mass399.85
IUPAC Namedisodium;phosphono dihydrogen phosphate;phosphono phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.2H4O7P2/c;;2*1-8(2,3)7-9(4,5)6/h;;2*(H2,1,2,3)(H2,4,5,6)/q2*+1;;/p-2
InChIKeyLEHDGUKAPKDXGH-UHFFFAOYSA-L
XLogP-8.88
TPSA254.24 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.91
LogP ≤ 5-8.88
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of disodium;phosphono dihydrogen phosphate;phosphono phosphate?
The IUPAC name of disodium;phosphono dihydrogen phosphate;phosphono phosphate (CID 173430814) is disodium;phosphono dihydrogen phosphate;phosphono phosphate.
What is the SMILES notation for disodium;phosphono dihydrogen phosphate;phosphono phosphate?
The canonical SMILES for disodium;phosphono dihydrogen phosphate;phosphono phosphate is O=P(O)(O)OP(=O)(O)O.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+].
What is the InChIKey of disodium;phosphono dihydrogen phosphate;phosphono phosphate?
The InChIKey is LEHDGUKAPKDXGH-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.2H4O7P2/c;;2*1-8(2,3)7-9(4,5)6/h;;2*(H2,1,2,3)(H2,4,5,6)/q2*+1;;/p-2.
What are the key properties of disodium;phosphono dihydrogen phosphate;phosphono phosphate?
disodium;phosphono dihydrogen phosphate;phosphono phosphate has a molecular weight of 399.91 g/mol, XLogP of -8.88, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phosphono dihydrogen phosphate;phosphono phosphate is sourced from PubChem (CID 173430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).