Etidronic acid

C₂H₈O₇P₂ — CID 3305

About Etidronic acid

Etidronic acid (PubChem CID 3305) has the molecular formula C₂H₈O₇P₂ and a molecular weight of 206.03 g/mol. Its IUPAC name is (1-hydroxy-1-phosphonoethyl)phosphonic acid.

Molecular Properties

• Compound Name: Etidronic acid
• PubChem CID: 3305
• Molecular Formula: C₂H₈O₇P₂
• Molecular Weight: 206.03 g/mol
• Exact Mass: 205.97
• IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid
• SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O
• InChI: InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
• InChIKey: DBVJJBKOTRCVKF-UHFFFAOYSA-N
• XLogP: -0.99
• TPSA: 135.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	206.03
LogP ≤ 5	-0.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Etidronic acid?

The IUPAC name of Etidronic acid (CID 3305) is (1-hydroxy-1-phosphonoethyl)phosphonic acid.

What is the SMILES notation for Etidronic acid?

The canonical SMILES for Etidronic acid is CC(O)(P(=O)(O)O)P(=O)(O)O.

What is the InChIKey of Etidronic acid?

The InChIKey is DBVJJBKOTRCVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9).

What are the key properties of Etidronic acid?

Etidronic acid has a molecular weight of 206.03 g/mol, XLogP of -0.99, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Etidronic acid is sourced from PubChem (CID 3305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3305 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1098 — approved-drug record (CC BY-SA 4.0)

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