disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate

H2Na2O7P2 — CID 173017843

IUPACdisodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])O.[H+].[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-8.59
Rot. Bonds2

About disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate

disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate (PubChem CID 173017843) has the molecular formula H2Na2O7P2 and a molecular weight of 221.94 g/mol. Its IUPAC name is disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate.

Molecular Properties

Compound Namedisodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
PubChem CID173017843
Molecular FormulaH2Na2O7P2
Molecular Weight221.94 g/mol
Exact Mass221.91
IUPAC Namedisodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])O.[H+].[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-8.59
TPSA132.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 5-8.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
CID 158298234
lithium;[hydroxy(oxido)phosphoryl] phosphate;iron(2+);phosphoric acid
CID 174059070
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
[hydroxy(oxido)phosphoryl] phosphate;1,3,5-triazine-2,4,6-triamine
CID 162367976
phosphono phosphate
CID 57345951
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
chloranium;antimony(3+);[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] phosphate;phosphane
CID 172781589
hexasodium;hydride;hydron;phosphonato phosphate
CID 173410016
bis(barium(2+));hydron;phosphonato phosphate
CID 173080237
phosphonato phosphate
CID 644102
cesium phosphono hydrogen phosphate
CID 160778064

Frequently Asked Questions

What is the IUPAC name of disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate?
The IUPAC name of disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate (CID 173017843) is disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate.
What is the SMILES notation for disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate?
The canonical SMILES for disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])O.[H+].[Na+].[Na+].
What is the InChIKey of disodium;hydron;[hydroxy(oxido)phosphoryl] 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;hydron;[hydroxy(oxido)phosphoryl] phosphate?
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate has a molecular weight of 221.94 g/mol, XLogP of -8.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate is sourced from PubChem (CID 173017843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).