sodium;diethoxyphosphanyl acetate;hydride

C6H14NaO4P — CID 174816487

IUPACsodium;diethoxyphosphanyl acetate;hydride
SMILESCCOP(OCC)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C6H13O4P.Na.H/c1-4-8-11(9-5-2)10-6(3)7;;/h4-5H2,1-3H3;;/q;+1;-1
InChIKeyJFOIXFQAGTZGAW-UHFFFAOYSA-N
MW204.14 g/mol
LogP-1.03
Rot. Bonds5

About sodium;diethoxyphosphanyl acetate;hydride

sodium;diethoxyphosphanyl acetate;hydride (PubChem CID 174816487) has the molecular formula C6H14NaO4P and a molecular weight of 204.14 g/mol. Its IUPAC name is sodium;diethoxyphosphanyl acetate;hydride.

Molecular Properties

Compound Namesodium;diethoxyphosphanyl acetate;hydride
PubChem CID174816487
Molecular FormulaC6H14NaO4P
Molecular Weight204.14 g/mol
Exact Mass204.05
IUPAC Namesodium;diethoxyphosphanyl acetate;hydride
SMILESCCOP(OCC)OC(C)=O.[H-].[Na+]
InChIInChI=1S/C6H13O4P.Na.H/c1-4-8-11(9-5-2)10-6(3)7;;/h4-5H2,1-3H3;;/q;+1;-1
InChIKeyJFOIXFQAGTZGAW-UHFFFAOYSA-N
XLogP-1.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;diethoxyphosphanyl acetate;hydride?
The IUPAC name of sodium;diethoxyphosphanyl acetate;hydride (CID 174816487) is sodium;diethoxyphosphanyl acetate;hydride.
What is the SMILES notation for sodium;diethoxyphosphanyl acetate;hydride?
The canonical SMILES for sodium;diethoxyphosphanyl acetate;hydride is CCOP(OCC)OC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;diethoxyphosphanyl acetate;hydride?
The InChIKey is JFOIXFQAGTZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P.Na.H/c1-4-8-11(9-5-2)10-6(3)7;;/h4-5H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;diethoxyphosphanyl acetate;hydride?
sodium;diethoxyphosphanyl acetate;hydride has a molecular weight of 204.14 g/mol, XLogP of -1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diethoxyphosphanyl acetate;hydride is sourced from PubChem (CID 174816487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).