Oxidronic acid

CH₆O₇P₂ — CID 27304

About Oxidronic acid

Oxidronic acid (PubChem CID 27304) has the molecular formula CH₆O₇P₂ and a molecular weight of 192.00 g/mol. Its IUPAC name is [hydroxy(phosphono)methyl]phosphonic acid.

Molecular Properties

• Compound Name: Oxidronic acid
• PubChem CID: 27304
• Molecular Formula: CH₆O₇P₂
• Molecular Weight: 192.00 g/mol
• Exact Mass: 191.96
• IUPAC Name: [hydroxy(phosphono)methyl]phosphonic acid
• SMILES: O=P(O)(O)C(O)P(=O)(O)O
• InChI: InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8)
• InChIKey: HJZKOAYDRQLPME-UHFFFAOYSA-N
• XLogP: -1.38
• TPSA: 135.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.00
LogP ≤ 5	-1.38
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 Oxidronic acid?

The IUPAC name of Oxidronic acid (CID 27304) is [hydroxy(phosphono)methyl]phosphonic acid.

What is the SMILES notation for Oxidronic acid?

The canonical SMILES for Oxidronic acid is O=P(O)(O)C(O)P(=O)(O)O.

What is the InChIKey of Oxidronic acid?

The InChIKey is HJZKOAYDRQLPME-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8).

What are the key properties of Oxidronic acid?

Oxidronic acid has a molecular weight of 192.00 g/mol, XLogP of -1.38, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxidronic acid is sourced from PubChem (CID 27304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 27304 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3409 — approved-drug record (CC BY-SA 4.0)

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