disodium;phosphono phosphate

H2Na2O7P2 — CID 6850736

IUPACdisodium;phosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyGYQBBRRVRKFJRG-UHFFFAOYSA-L
MW221.94 g/mol
LogP-8.07
Rot. Bonds2

About disodium;phosphono phosphate

disodium;phosphono phosphate (PubChem CID 6850736) has the molecular formula H2Na2O7P2 and a molecular weight of 221.94 g/mol. Its IUPAC name is disodium;phosphono phosphate.

Molecular Properties

Compound Namedisodium;phosphono phosphate
PubChem CID6850736
Molecular FormulaH2Na2O7P2
Molecular Weight221.94 g/mol
Exact Mass221.91
IUPAC Namedisodium;phosphono phosphate
SMILESO=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyGYQBBRRVRKFJRG-UHFFFAOYSA-L
XLogP-8.07
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 5-8.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;phosphono phosphate?
The IUPAC name of disodium;phosphono phosphate (CID 6850736) is disodium;phosphono phosphate.
What is the SMILES notation for disodium;phosphono phosphate?
The canonical SMILES for disodium;phosphono phosphate is O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+].
What is the InChIKey of disodium;phosphono phosphate?
The InChIKey is GYQBBRRVRKFJRG-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2.
What are the key properties of disodium;phosphono phosphate?
disodium;phosphono phosphate has a molecular weight of 221.94 g/mol, XLogP of -8.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;phosphono phosphate is sourced from PubChem (CID 6850736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).