sodium;diphosphono hydrogen phosphate;hydride;pyridine

C5H11NNaO10P3 — CID 175384795

IUPACsodium;diphosphono hydrogen phosphate;hydride;pyridine
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+].c1ccncc1
InChIInChI=1S/C5H5N.Na.H5O10P3.H/c1-2-4-6-5-3-1;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h1-5H;;(H,7,8)(H2,1,2,3)(H2,4,5,6);/q;+1;;-1
InChIKeyZGIQFBVJSVVEMP-UHFFFAOYSA-N
MW361.05 g/mol
LogP-2.50
Rot. Bonds4

About sodium;diphosphono hydrogen phosphate;hydride;pyridine

sodium;diphosphono hydrogen phosphate;hydride;pyridine (PubChem CID 175384795) has the molecular formula C5H11NNaO10P3 and a molecular weight of 361.05 g/mol. Its IUPAC name is sodium;diphosphono hydrogen phosphate;hydride;pyridine.

Molecular Properties

Compound Namesodium;diphosphono hydrogen phosphate;hydride;pyridine
PubChem CID175384795
Molecular FormulaC5H11NNaO10P3
Molecular Weight361.05 g/mol
Exact Mass360.95
IUPAC Namesodium;diphosphono hydrogen phosphate;hydride;pyridine
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+].c1ccncc1
InChIInChI=1S/C5H5N.Na.H5O10P3.H/c1-2-4-6-5-3-1;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h1-5H;;(H,7,8)(H2,1,2,3)(H2,4,5,6);/q;+1;;-1
InChIKeyZGIQFBVJSVVEMP-UHFFFAOYSA-N
XLogP-2.50
TPSA183.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.05
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
dimethyl hydrogen phosphate;pyridine
CID 174868032
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
CID 131848730
CID 131848730

Frequently Asked Questions

What is the IUPAC name of sodium;diphosphono hydrogen phosphate;hydride;pyridine?
The IUPAC name of sodium;diphosphono hydrogen phosphate;hydride;pyridine (CID 175384795) is sodium;diphosphono hydrogen phosphate;hydride;pyridine.
What is the SMILES notation for sodium;diphosphono hydrogen phosphate;hydride;pyridine?
The canonical SMILES for sodium;diphosphono hydrogen phosphate;hydride;pyridine is O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+].c1ccncc1.
What is the InChIKey of sodium;diphosphono hydrogen phosphate;hydride;pyridine?
The InChIKey is ZGIQFBVJSVVEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.Na.H5O10P3.H/c1-2-4-6-5-3-1;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h1-5H;;(H,7,8)(H2,1,2,3)(H2,4,5,6);/q;+1;;-1.
What are the key properties of sodium;diphosphono hydrogen phosphate;hydride;pyridine?
sodium;diphosphono hydrogen phosphate;hydride;pyridine has a molecular weight of 361.05 g/mol, XLogP of -2.50, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diphosphono hydrogen phosphate;hydride;pyridine is sourced from PubChem (CID 175384795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).