2-dimethoxyphosphoryl-2-hydroxyacetic acid

C4H9O6P — CID 18923995

IUPAC2-dimethoxyphosphoryl-2-hydroxyacetic acid
SMILESCOP(=O)(OC)C(O)C(=O)O
InChIInChI=1S/C4H9O6P/c1-9-11(8,10-2)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)
InChIKeyRNQKLCPVTBQZMH-UHFFFAOYSA-N
MW184.08 g/mol
LogP-0.12
Rot. Bonds4

About 2-dimethoxyphosphoryl-2-hydroxyacetic acid

2-dimethoxyphosphoryl-2-hydroxyacetic acid (PubChem CID 18923995) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2-hydroxyacetic acid
PubChem CID18923995
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Name2-dimethoxyphosphoryl-2-hydroxyacetic acid
SMILESCOP(=O)(OC)C(O)C(=O)O
InChIInChI=1S/C4H9O6P/c1-9-11(8,10-2)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)
InChIKeyRNQKLCPVTBQZMH-UHFFFAOYSA-N
XLogP-0.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-0.12
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-dimethoxyphosphoryl-2-hydroxyacetic acid?
The IUPAC name of 2-dimethoxyphosphoryl-2-hydroxyacetic acid (CID 18923995) is 2-dimethoxyphosphoryl-2-hydroxyacetic acid.
What is the SMILES notation for 2-dimethoxyphosphoryl-2-hydroxyacetic acid?
The canonical SMILES for 2-dimethoxyphosphoryl-2-hydroxyacetic acid is COP(=O)(OC)C(O)C(=O)O.
What is the InChIKey of 2-dimethoxyphosphoryl-2-hydroxyacetic acid?
The InChIKey is RNQKLCPVTBQZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O6P/c1-9-11(8,10-2)4(7)3(5)6/h4,7H,1-2H3,(H,5,6).
What are the key properties of 2-dimethoxyphosphoryl-2-hydroxyacetic acid?
2-dimethoxyphosphoryl-2-hydroxyacetic acid has a molecular weight of 184.08 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2-hydroxyacetic acid is sourced from PubChem (CID 18923995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).