(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid

C7H13O7P — CID 140811008

IUPAC(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(OC(C)=O)C(=O)OC
InChIInChI=1S/C7H13O7P/c1-4-13-15(10,11)7(6(9)12-3)14-5(2)8/h7H,4H2,1-3H3,(H,10,11)
InChIKeySWPIQOCXBDUPKP-UHFFFAOYSA-N
MW240.15 g/mol
LogP0.27
Rot. Bonds5

About (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid

(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid (PubChem CID 140811008) has the molecular formula C7H13O7P and a molecular weight of 240.15 g/mol. Its IUPAC name is (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid.

Molecular Properties

Compound Name(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid
PubChem CID140811008
Molecular FormulaC7H13O7P
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Name(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(OC(C)=O)C(=O)OC
InChIInChI=1S/C7H13O7P/c1-4-13-15(10,11)7(6(9)12-3)14-5(2)8/h7H,4H2,1-3H3,(H,10,11)
InChIKeySWPIQOCXBDUPKP-UHFFFAOYSA-N
XLogP0.27
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid?
The IUPAC name of (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid (CID 140811008) is (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid.
What is the SMILES notation for (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid?
The canonical SMILES for (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid is CCOP(=O)(O)C(OC(C)=O)C(=O)OC.
What is the InChIKey of (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid?
The InChIKey is SWPIQOCXBDUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O7P/c1-4-13-15(10,11)7(6(9)12-3)14-5(2)8/h7H,4H2,1-3H3,(H,10,11).
What are the key properties of (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid?
(1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid has a molecular weight of 240.15 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-methoxy-2-oxoethyl)-ethoxyphosphinic acid is sourced from PubChem (CID 140811008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).