2-diethoxyphosphoryl-2-hydroxyacetic acid

C6H13O6P — CID 15364540

IUPAC2-diethoxyphosphoryl-2-hydroxyacetic acid
SMILESCCOP(=O)(OCC)C(O)C(=O)O
InChIInChI=1S/C6H13O6P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h6,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyUBEDHXBAXXAJGL-UHFFFAOYSA-N
MW212.14 g/mol
LogP0.66
Rot. Bonds6

About 2-diethoxyphosphoryl-2-hydroxyacetic acid

2-diethoxyphosphoryl-2-hydroxyacetic acid (PubChem CID 15364540) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-hydroxyacetic acid
PubChem CID15364540
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name2-diethoxyphosphoryl-2-hydroxyacetic acid
SMILESCCOP(=O)(OCC)C(O)C(=O)O
InChIInChI=1S/C6H13O6P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h6,9H,3-4H2,1-2H3,(H,7,8)
InChIKeyUBEDHXBAXXAJGL-UHFFFAOYSA-N
XLogP0.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 50.66
H-Bond Donors ≤ 52
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-diethoxyphosphoryl-2-hydroxyacetic acid?
The IUPAC name of 2-diethoxyphosphoryl-2-hydroxyacetic acid (CID 15364540) is 2-diethoxyphosphoryl-2-hydroxyacetic acid.
What is the SMILES notation for 2-diethoxyphosphoryl-2-hydroxyacetic acid?
The canonical SMILES for 2-diethoxyphosphoryl-2-hydroxyacetic acid is CCOP(=O)(OCC)C(O)C(=O)O.
What is the InChIKey of 2-diethoxyphosphoryl-2-hydroxyacetic acid?
The InChIKey is UBEDHXBAXXAJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O6P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h6,9H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-diethoxyphosphoryl-2-hydroxyacetic acid?
2-diethoxyphosphoryl-2-hydroxyacetic acid has a molecular weight of 212.14 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-hydroxyacetic acid is sourced from PubChem (CID 15364540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).