sodium;azane;phosphono hydrogen phosphate;tetrahydrate

H14NNaO11P2 — CID 174651313

IUPACsodium;azane;phosphono hydrogen phosphate;tetrahydrate
SMILESN.O.O.O.O.O=P([O-])(O)OP(=O)(O)O.[Na+]
InChIInChI=1S/H3N.Na.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h1H3;;(H2,1,2,3)(H2,4,5,6);4*1H2/q;+1;;;;;/p-1
InChIKeyGLQYASOSFVWCKE-UHFFFAOYSA-M
MW289.05 g/mol
LogP-7.58
Rot. Bonds2

About sodium;azane;phosphono hydrogen phosphate;tetrahydrate

sodium;azane;phosphono hydrogen phosphate;tetrahydrate (PubChem CID 174651313) has the molecular formula H14NNaO11P2 and a molecular weight of 289.05 g/mol. Its IUPAC name is sodium;azane;phosphono hydrogen phosphate;tetrahydrate.

Molecular Properties

Compound Namesodium;azane;phosphono hydrogen phosphate;tetrahydrate
PubChem CID174651313
Molecular FormulaH14NNaO11P2
Molecular Weight289.05 g/mol
Exact Mass288.99
IUPAC Namesodium;azane;phosphono hydrogen phosphate;tetrahydrate
SMILESN.O.O.O.O.O=P([O-])(O)OP(=O)(O)O.[Na+]
InChIInChI=1S/H3N.Na.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h1H3;;(H2,1,2,3)(H2,4,5,6);4*1H2/q;+1;;;;;/p-1
InChIKeyGLQYASOSFVWCKE-UHFFFAOYSA-M
XLogP-7.58
TPSA288.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.05
LogP ≤ 5-7.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
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trisodium;[hydroxy(oxido)phosphoryl] phosphate;dodecahydrate
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chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302
phosphono phosphate
CID 57345951
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CID 172800352
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843
manganese(2+);phosphono phosphate
CID 138395841
disodium;phosphono dihydrogen phosphate;phosphono phosphate
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disodium;ethane;phosphono phosphate
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Frequently Asked Questions

What is the IUPAC name of sodium;azane;phosphono hydrogen phosphate;tetrahydrate?
The IUPAC name of sodium;azane;phosphono hydrogen phosphate;tetrahydrate (CID 174651313) is sodium;azane;phosphono hydrogen phosphate;tetrahydrate.
What is the SMILES notation for sodium;azane;phosphono hydrogen phosphate;tetrahydrate?
The canonical SMILES for sodium;azane;phosphono hydrogen phosphate;tetrahydrate is N.O.O.O.O.O=P([O-])(O)OP(=O)(O)O.[Na+].
What is the InChIKey of sodium;azane;phosphono hydrogen phosphate;tetrahydrate?
The InChIKey is GLQYASOSFVWCKE-UHFFFAOYSA-M. The full InChI is InChI=1S/H3N.Na.H4O7P2.4H2O/c;;1-8(2,3)7-9(4,5)6;;;;/h1H3;;(H2,1,2,3)(H2,4,5,6);4*1H2/q;+1;;;;;/p-1.
What are the key properties of sodium;azane;phosphono hydrogen phosphate;tetrahydrate?
sodium;azane;phosphono hydrogen phosphate;tetrahydrate has a molecular weight of 289.05 g/mol, XLogP of -7.58, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;phosphono hydrogen phosphate;tetrahydrate is sourced from PubChem (CID 174651313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).