sodium;ethanol;phosphoric acid

C2H8NaO5P — CID 87786225

IUPACsodium;ethanol;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CO.[Na+]
InChIInChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h3H,1-2H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyXYJXTBROOZFBAD-UHFFFAOYSA-N
MW166.04 g/mol
LogP-4.11
Rot. Bonds

About sodium;ethanol;phosphoric acid

sodium;ethanol;phosphoric acid (PubChem CID 87786225) has the molecular formula C2H8NaO5P and a molecular weight of 166.04 g/mol. Its IUPAC name is sodium;ethanol;phosphoric acid.

Molecular Properties

Compound Namesodium;ethanol;phosphoric acid
PubChem CID87786225
Molecular FormulaC2H8NaO5P
Molecular Weight166.04 g/mol
Exact Mass166.00
IUPAC Namesodium;ethanol;phosphoric acid
SMILESO=P(O)(O)O.[CH2-]CO.[Na+]
InChIInChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h3H,1-2H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyXYJXTBROOZFBAD-UHFFFAOYSA-N
XLogP-4.11
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 5-4.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;phosphoric acid;propan-1-ol
CID 161036889
hexasodium;phosphoric acid;hexafluoride
CID 173078700
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
dipotassium;trisodium;phosphoric acid
CID 175728494
trisodium;hydride;phosphoric acid
CID 173046731
pentasodium;hydride;phosphoric acid
CID 173157264
azane;ethane-1,2-diol;phosphoric acid
CID 174794036
sodium;hydride;phosphoric acid;hexahydrochloride
CID 174230021
sodium;hydride;phosphoric acid;hexahydrofluoride
CID 173078699
sodium;hydride;λ2-plumbane;phosphoric acid
CID 173229712
sodium;carbanide;phosphoric acid;zinc
CID 175556833

Frequently Asked Questions

What is the IUPAC name of sodium;ethanol;phosphoric acid?
The IUPAC name of sodium;ethanol;phosphoric acid (CID 87786225) is sodium;ethanol;phosphoric acid.
What is the SMILES notation for sodium;ethanol;phosphoric acid?
The canonical SMILES for sodium;ethanol;phosphoric acid is O=P(O)(O)O.[CH2-]CO.[Na+].
What is the InChIKey of sodium;ethanol;phosphoric acid?
The InChIKey is XYJXTBROOZFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h3H,1-2H2;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;ethanol;phosphoric acid?
sodium;ethanol;phosphoric acid has a molecular weight of 166.04 g/mol, XLogP of -4.11, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanol;phosphoric acid is sourced from PubChem (CID 87786225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).