bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate

C21H19N2O10PU-6 — CID 139068755

IUPACbis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
SMILESO=C([O-])CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O-2].[O-2].[U]
InChIInChI=1S/C21H19O2P.2NO3.2O.U/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;2*2-1(3)4;;;/h1-15H,16-17H2;;;;;/q;2*-1;2*-2;
InChIKeyUMRDPRVYLXGGIE-UHFFFAOYSA-N
MW728.39 g/mol
LogP1.40
Rot. Bonds6

About bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate

bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate (PubChem CID 139068755) has the molecular formula C21H19N2O10PU-6 and a molecular weight of 728.39 g/mol. Its IUPAC name is bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate.

Molecular Properties

Compound Namebis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
PubChem CID139068755
Molecular FormulaC21H19N2O10PU-6
Molecular Weight728.39 g/mol
Exact Mass728.13
IUPAC Namebis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate
SMILESO=C([O-])CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O-2].[O-2].[U]
InChIInChI=1S/C21H19O2P.2NO3.2O.U/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;2*2-1(3)4;;;/h1-15H,16-17H2;;;;;/q;2*-1;2*-2;
InChIKeyUMRDPRVYLXGGIE-UHFFFAOYSA-N
XLogP1.40
TPSA229.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500728.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate?
The IUPAC name of bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate (CID 139068755) is bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate.
What is the SMILES notation for bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate?
The canonical SMILES for bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate is O=C([O-])CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[O-2].[O-2].[U].
What is the InChIKey of bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate?
The InChIKey is UMRDPRVYLXGGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2P.2NO3.2O.U/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;2*2-1(3)4;;;/h1-15H,16-17H2;;;;;/q;2*-1;2*-2;.
What are the key properties of bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate?
bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate has a molecular weight of 728.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));3-triphenylphosphaniumylpropanoate;uranium;dinitrate is sourced from PubChem (CID 139068755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).