(2-oxo-1-phosphonopropyl)phosphonic acid

C3H8O7P2 — CID 54223338

IUPAC(2-oxo-1-phosphonopropyl)phosphonic acid
SMILESCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H8O7P2/c1-2(4)3(11(5,6)7)12(8,9)10/h3H,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyQEDNIBPHOCFLHL-UHFFFAOYSA-N
MW218.04 g/mol
LogP-0.74
Rot. Bonds3

About (2-oxo-1-phosphonopropyl)phosphonic acid

(2-oxo-1-phosphonopropyl)phosphonic acid (PubChem CID 54223338) has the molecular formula C3H8O7P2 and a molecular weight of 218.04 g/mol. Its IUPAC name is (2-oxo-1-phosphonopropyl)phosphonic acid.

Molecular Properties

Compound Name(2-oxo-1-phosphonopropyl)phosphonic acid
PubChem CID54223338
Molecular FormulaC3H8O7P2
Molecular Weight218.04 g/mol
Exact Mass217.97
IUPAC Name(2-oxo-1-phosphonopropyl)phosphonic acid
SMILESCC(=O)C(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C3H8O7P2/c1-2(4)3(11(5,6)7)12(8,9)10/h3H,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyQEDNIBPHOCFLHL-UHFFFAOYSA-N
XLogP-0.74
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-oxo-1-phosphonopropyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phosphonopropyl)phosphonic acid?
The IUPAC name of (2-oxo-1-phosphonopropyl)phosphonic acid (CID 54223338) is (2-oxo-1-phosphonopropyl)phosphonic acid.
What is the SMILES notation for (2-oxo-1-phosphonopropyl)phosphonic acid?
The canonical SMILES for (2-oxo-1-phosphonopropyl)phosphonic acid is CC(=O)C(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2-oxo-1-phosphonopropyl)phosphonic acid?
The InChIKey is QEDNIBPHOCFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O7P2/c1-2(4)3(11(5,6)7)12(8,9)10/h3H,1H3,(H2,5,6,7)(H2,8,9,10).
What are the key properties of (2-oxo-1-phosphonopropyl)phosphonic acid?
(2-oxo-1-phosphonopropyl)phosphonic acid has a molecular weight of 218.04 g/mol, XLogP of -0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phosphonopropyl)phosphonic acid is sourced from PubChem (CID 54223338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).