Dihydroxy(oxo)phosphanium;7H-purine

C₅H₆N₄O₃P+ — CID 23509246

About Dihydroxy(oxo)phosphanium;7H-purine

Dihydroxy(oxo)phosphanium;7H-purine (PubChem CID 23509246) has the molecular formula C₅H₆N₄O₃P+ and a molecular weight of 201.10 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;7H-purine.

Molecular Properties

• Compound Name: Dihydroxy(oxo)phosphanium;7H-purine
• PubChem CID: 23509246
• Molecular Formula: C₅H₆N₄O₃P+
• Molecular Weight: 201.10 g/mol
• Exact Mass: 201.02
• IUPAC Name: dihydroxy(oxo)phosphanium;7H-purine
• SMILES: O=[P+](O)O.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C5H4N4.HO3P/c1-4-5(8-2-6-1)9-3-7-4;1-4(2)3/h1-3H,(H,6,7,8,9);(H-,1,2,3)/p+1
• InChIKey: OFVFBPCLKCSQAP-UHFFFAOYSA-O
• XLogP: -0.02
• TPSA: 111.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.10
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dihydroxy(oxo)phosphanium;7H-purine?

The IUPAC name of Dihydroxy(oxo)phosphanium;7H-purine (CID 23509246) is dihydroxy(oxo)phosphanium;7H-purine.

What is the SMILES notation for Dihydroxy(oxo)phosphanium;7H-purine?

The canonical SMILES for Dihydroxy(oxo)phosphanium;7H-purine is O=[P+](O)O.c1ncc2[nH]cnc2n1.

What is the InChIKey of Dihydroxy(oxo)phosphanium;7H-purine?

The InChIKey is OFVFBPCLKCSQAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H4N4.HO3P/c1-4-5(8-2-6-1)9-3-7-4;1-4(2)3/h1-3H,(H,6,7,8,9);(H-,1,2,3)/p+1.

What are the key properties of Dihydroxy(oxo)phosphanium;7H-purine?

Dihydroxy(oxo)phosphanium;7H-purine has a molecular weight of 201.10 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dihydroxy(oxo)phosphanium;7H-purine is sourced from PubChem (CID 23509246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23509246 — identifiers, structure, computed properties (public domain)

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