tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol

C2H5Na4O7P2+ — CID 173024812

IUPACtetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol
SMILESCC(O)P(=O)([O-])[O-].O=[P+]([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H7O4P.4Na.HO3P/c1-2(3)7(4,5)6;;;;;1-4(2)3/h2-3H,1H3,(H2,4,5,6);;;;;(H,1,2,3)/q;4*+1;/p-3
InChIKeyVFJMMOGACJNLNL-UHFFFAOYSA-K
MW294.96 g/mol
LogP-15.38
Rot. Bonds1

About tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol

tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol (PubChem CID 173024812) has the molecular formula C2H5Na4O7P2+ and a molecular weight of 294.96 g/mol. Its IUPAC name is tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol.

Molecular Properties

Compound Nametetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol
PubChem CID173024812
Molecular FormulaC2H5Na4O7P2+
Molecular Weight294.96 g/mol
Exact Mass294.91
IUPAC Nametetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol
SMILESCC(O)P(=O)([O-])[O-].O=[P+]([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H7O4P.4Na.HO3P/c1-2(3)7(4,5)6;;;;;1-4(2)3/h2-3H,1H3,(H2,4,5,6);;;;;(H,1,2,3)/q;4*+1;/p-3
InChIKeyVFJMMOGACJNLNL-UHFFFAOYSA-K
XLogP-15.38
TPSA146.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.96
LogP ≤ 5-15.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;1-phosphonatoethanol
CID 22352114
trisodium;propan-2-ol;phosphate
CID 174993570
sodium 1-hydroxyethyl-oxido-oxophosphanium
CID 23706939
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
dioxido(oxo)phosphanium;zirconium(2+);phosphate
CID 19613992
calcium bis(1-hydroxyethyl-oxido-oxophosphanium)
CID 13389887
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061
[methyl(oxo)phosphaniumyl] phosphate
CID 23405619
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
CID 155666645
disodium;bis(dihydrogen phosphate);dihydroxy(oxo)phosphanium
CID 172821618
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312

Frequently Asked Questions

What is the IUPAC name of tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol?
The IUPAC name of tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol (CID 173024812) is tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol.
What is the SMILES notation for tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol?
The canonical SMILES for tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol is CC(O)P(=O)([O-])[O-].O=[P+]([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol?
The InChIKey is VFJMMOGACJNLNL-UHFFFAOYSA-K. The full InChI is InChI=1S/C2H7O4P.4Na.HO3P/c1-2(3)7(4,5)6;;;;;1-4(2)3/h2-3H,1H3,(H2,4,5,6);;;;;(H,1,2,3)/q;4*+1;/p-3.
What are the key properties of tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol?
tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol has a molecular weight of 294.96 g/mol, XLogP of -15.38, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;dioxido(oxo)phosphanium;1-phosphonatoethanol is sourced from PubChem (CID 173024812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).