dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine

C7H8N4O3P+ — CID 67035770

IUPACdihydroxy(oxo)phosphanium;2-ethenyl-7H-purine
SMILESC=Cc1ncc2[nH]cnc2n1.O=[P+](O)O
InChIInChI=1S/C7H6N4.HO3P/c1-2-6-8-3-5-7(11-6)10-4-9-5;1-4(2)3/h2-4H,1H2,(H,8,9,10,11);(H-,1,2,3)/p+1
InChIKeyFSKCLKUCWXCSKO-UHFFFAOYSA-O
MW227.14 g/mol
LogP0.62
Rot. Bonds1

About dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine

dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine (PubChem CID 67035770) has the molecular formula C7H8N4O3P+ and a molecular weight of 227.14 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;2-ethenyl-7H-purine
PubChem CID67035770
Molecular FormulaC7H8N4O3P+
Molecular Weight227.14 g/mol
Exact Mass227.03
IUPAC Namedihydroxy(oxo)phosphanium;2-ethenyl-7H-purine
SMILESC=Cc1ncc2[nH]cnc2n1.O=[P+](O)O
InChIInChI=1S/C7H6N4.HO3P/c1-2-6-8-3-5-7(11-6)10-4-9-5;1-4(2)3/h2-4H,1H2,(H,8,9,10,11);(H-,1,2,3)/p+1
InChIKeyFSKCLKUCWXCSKO-UHFFFAOYSA-O
XLogP0.62
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 50.62
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;2-ethenyl-7H-purine?
The IUPAC name of dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine (CID 67035770) is dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine.
What is the SMILES notation for dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine?
The canonical SMILES for dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine is C=Cc1ncc2[nH]cnc2n1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine?
The InChIKey is FSKCLKUCWXCSKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N4.HO3P/c1-2-6-8-3-5-7(11-6)10-4-9-5;1-4(2)3/h2-4H,1H2,(H,8,9,10,11);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine?
dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine has a molecular weight of 227.14 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;2-ethenyl-7H-purine is sourced from PubChem (CID 67035770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).