sodium 1-hydroxyethyl-oxido-oxophosphanium

C2H5NaO3P+ — CID 23706939

IUPACsodium 1-hydroxyethyl-oxido-oxophosphanium
SMILESCC(O)[P+](=O)[O-].[Na+]
InChIInChI=1S/C2H5O3P.Na/c1-2(3)6(4)5;/h2-3H,1H3;/q;+1
InChIKeyAMQKUQFOCGZTND-UHFFFAOYSA-N
MW131.02 g/mol
LogP-3.57
Rot. Bonds1

About sodium 1-hydroxyethyl-oxido-oxophosphanium

sodium 1-hydroxyethyl-oxido-oxophosphanium (PubChem CID 23706939) has the molecular formula C2H5NaO3P+ and a molecular weight of 131.02 g/mol. Its IUPAC name is sodium 1-hydroxyethyl-oxido-oxophosphanium.

Molecular Properties

Compound Namesodium 1-hydroxyethyl-oxido-oxophosphanium
PubChem CID23706939
Molecular FormulaC2H5NaO3P+
Molecular Weight131.02 g/mol
Exact Mass130.99
IUPAC Namesodium 1-hydroxyethyl-oxido-oxophosphanium
SMILESCC(O)[P+](=O)[O-].[Na+]
InChIInChI=1S/C2H5O3P.Na/c1-2(3)6(4)5;/h2-3H,1H3;/q;+1
InChIKeyAMQKUQFOCGZTND-UHFFFAOYSA-N
XLogP-3.57
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.02
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 1-hydroxyethyl-oxido-oxophosphanium?
The IUPAC name of sodium 1-hydroxyethyl-oxido-oxophosphanium (CID 23706939) is sodium 1-hydroxyethyl-oxido-oxophosphanium.
What is the SMILES notation for sodium 1-hydroxyethyl-oxido-oxophosphanium?
The canonical SMILES for sodium 1-hydroxyethyl-oxido-oxophosphanium is CC(O)[P+](=O)[O-].[Na+].
What is the InChIKey of sodium 1-hydroxyethyl-oxido-oxophosphanium?
The InChIKey is AMQKUQFOCGZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P.Na/c1-2(3)6(4)5;/h2-3H,1H3;/q;+1.
What are the key properties of sodium 1-hydroxyethyl-oxido-oxophosphanium?
sodium 1-hydroxyethyl-oxido-oxophosphanium has a molecular weight of 131.02 g/mol, XLogP of -3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-hydroxyethyl-oxido-oxophosphanium is sourced from PubChem (CID 23706939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).