sodium;ethanolate;phosphoric acid

C2H8NaO5P — CID 158540403

IUPACsodium;ethanolate;phosphoric acid
SMILESCC[O-].O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h2H2,1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyHOLGLNYKXAXBEG-UHFFFAOYSA-N
MW166.04 g/mol
LogP-4.56
Rot. Bonds

About sodium;ethanolate;phosphoric acid

sodium;ethanolate;phosphoric acid (PubChem CID 158540403) has the molecular formula C2H8NaO5P and a molecular weight of 166.04 g/mol. Its IUPAC name is sodium;ethanolate;phosphoric acid.

Molecular Properties

Compound Namesodium;ethanolate;phosphoric acid
PubChem CID158540403
Molecular FormulaC2H8NaO5P
Molecular Weight166.04 g/mol
Exact Mass166.00
IUPAC Namesodium;ethanolate;phosphoric acid
SMILESCC[O-].O=P(O)(O)O.[Na+]
InChIInChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h2H2,1H3;;(H3,1,2,3,4)/q-1;+1;
InChIKeyHOLGLNYKXAXBEG-UHFFFAOYSA-N
XLogP-4.56
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 5-4.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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sodium;ethylphosphonic acid;hydride
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sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
dipotassium;trisodium;phosphoric acid
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Frequently Asked Questions

What is the IUPAC name of sodium;ethanolate;phosphoric acid?
The IUPAC name of sodium;ethanolate;phosphoric acid (CID 158540403) is sodium;ethanolate;phosphoric acid.
What is the SMILES notation for sodium;ethanolate;phosphoric acid?
The canonical SMILES for sodium;ethanolate;phosphoric acid is CC[O-].O=P(O)(O)O.[Na+].
What is the InChIKey of sodium;ethanolate;phosphoric acid?
The InChIKey is HOLGLNYKXAXBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O.Na.H3O4P/c1-2-3;;1-5(2,3)4/h2H2,1H3;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;ethanolate;phosphoric acid?
sodium;ethanolate;phosphoric acid has a molecular weight of 166.04 g/mol, XLogP of -4.56, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanolate;phosphoric acid is sourced from PubChem (CID 158540403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).