2-dimethoxyphosphoryloxypropanoic acid

C5H11O6P — CID 88549351

IUPAC2-dimethoxyphosphoryloxypropanoic acid
SMILESCOP(=O)(OC)OC(C)C(=O)O
InChIInChI=1S/C5H11O6P/c1-4(5(6)7)11-12(8,9-2)10-3/h4H,1-3H3,(H,6,7)
InChIKeyKOPJGDOARWQLBF-UHFFFAOYSA-N
MW198.11 g/mol
LogP0.88
Rot. Bonds5

About 2-dimethoxyphosphoryloxypropanoic acid

2-dimethoxyphosphoryloxypropanoic acid (PubChem CID 88549351) has the molecular formula C5H11O6P and a molecular weight of 198.11 g/mol. Its IUPAC name is 2-dimethoxyphosphoryloxypropanoic acid.

Molecular Properties

Compound Name2-dimethoxyphosphoryloxypropanoic acid
PubChem CID88549351
Molecular FormulaC5H11O6P
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Name2-dimethoxyphosphoryloxypropanoic acid
SMILESCOP(=O)(OC)OC(C)C(=O)O
InChIInChI=1S/C5H11O6P/c1-4(5(6)7)11-12(8,9-2)10-3/h4H,1-3H3,(H,6,7)
InChIKeyKOPJGDOARWQLBF-UHFFFAOYSA-N
XLogP0.88
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryloxypropanoic acid?
The IUPAC name of 2-dimethoxyphosphoryloxypropanoic acid (CID 88549351) is 2-dimethoxyphosphoryloxypropanoic acid.
What is the SMILES notation for 2-dimethoxyphosphoryloxypropanoic acid?
The canonical SMILES for 2-dimethoxyphosphoryloxypropanoic acid is COP(=O)(OC)OC(C)C(=O)O.
What is the InChIKey of 2-dimethoxyphosphoryloxypropanoic acid?
The InChIKey is KOPJGDOARWQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O6P/c1-4(5(6)7)11-12(8,9-2)10-3/h4H,1-3H3,(H,6,7).
What are the key properties of 2-dimethoxyphosphoryloxypropanoic acid?
2-dimethoxyphosphoryloxypropanoic acid has a molecular weight of 198.11 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryloxypropanoic acid is sourced from PubChem (CID 88549351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).