sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate

C5H8NaO6P — CID 88728962

IUPACsodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
SMILESCOC(=O)CCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C5H9O6P.Na/c1-11-4(6)2-3-5(7)12(8,9)10;/h2-3H2,1H3,(H2,8,9,10);/q;+1/p-1
InChIKeyZOHILFOOFATRCJ-UHFFFAOYSA-M
MW218.08 g/mol
LogP-3.98
Rot. Bonds4

About sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate

sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate (PubChem CID 88728962) has the molecular formula C5H8NaO6P and a molecular weight of 218.08 g/mol. Its IUPAC name is sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate.

Molecular Properties

Compound Namesodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
PubChem CID88728962
Molecular FormulaC5H8NaO6P
Molecular Weight218.08 g/mol
Exact Mass218.00
IUPAC Namesodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
SMILESCOC(=O)CCC(=O)P(=O)([O-])O.[Na+]
InChIInChI=1S/C5H9O6P.Na/c1-11-4(6)2-3-5(7)12(8,9)10;/h2-3H2,1H3,(H2,8,9,10);/q;+1/p-1
InChIKeyZOHILFOOFATRCJ-UHFFFAOYSA-M
XLogP-3.98
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 5-3.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;(4-methoxy-4-oxobutanoyl)-pentylphosphinic acid
CID 173427730
methyl 4-oxo-5-phosphonooxypentanoate
CID 132838497
4-methoxy-4-oxobutanoate
CID 6930703
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323
methyl 5-phosphonooxypentanoate
CID 138740971
methane;methyl 4-oxopentanoate
CID 157451764
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
CID 173417413
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate?
The IUPAC name of sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate (CID 88728962) is sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate.
What is the SMILES notation for sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate?
The canonical SMILES for sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate is COC(=O)CCC(=O)P(=O)([O-])O.[Na+].
What is the InChIKey of sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate?
The InChIKey is ZOHILFOOFATRCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9O6P.Na/c1-11-4(6)2-3-5(7)12(8,9)10;/h2-3H2,1H3,(H2,8,9,10);/q;+1/p-1.
What are the key properties of sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate?
sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate has a molecular weight of 218.08 g/mol, XLogP of -3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate is sourced from PubChem (CID 88728962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).