dihydroxy(oxo)phosphanium;7H-purine

C5H6N4O3P+ — CID 23509246

IUPACdihydroxy(oxo)phosphanium;7H-purine
SMILESO=[P+](O)O.c1ncc2[nH]cnc2n1
InChIInChI=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
InChIKeyOFVFBPCLKCSQAP-UHFFFAOYSA-O
MW201.10 g/mol
LogP-0.02
Rot. Bonds

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 Namedihydroxy(oxo)phosphanium;7H-purine
PubChem CID23509246
Molecular FormulaC5H6N4O3P+
Molecular Weight201.10 g/mol
Exact Mass201.02
IUPAC Namedihydroxy(oxo)phosphanium;7H-purine
SMILESO=[P+](O)O.c1ncc2[nH]cnc2n1
InChIInChI=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
InChIKeyOFVFBPCLKCSQAP-UHFFFAOYSA-O
XLogP-0.02
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).