azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate

C10H56La2N3O18- — CID 161204835

IUPACazane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate
SMILESC.C.C.C.C.C.C.N.N.N.O.O.O.O.O.O.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[La].[La]
InChIInChI=1S/C3HO9.7CH4.2La.3H3N.9H2O/c4-1-8-10-3(6)12-11-2(5)9-7;;;;;;;;;;;;;;;;;;;;;/h7H;7*1H4;;;3*1H3;9*1H2/q-1;;;;;;;;;;;;;;;;;;;;;
InChIKeyUEKZPMNFHJQZAH-UHFFFAOYSA-N
MW784.37 g/mol
LogP-2.80
Rot. Bonds2

About azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate

azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate (PubChem CID 161204835) has the molecular formula C10H56La2N3O18- and a molecular weight of 784.37 g/mol. Its IUPAC name is azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate.

Molecular Properties

Compound Nameazane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate
PubChem CID161204835
Molecular FormulaC10H56La2N3O18-
Molecular Weight784.37 g/mol
Exact Mass784.17
IUPAC Nameazane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate
SMILESC.C.C.C.C.C.C.N.N.N.O.O.O.O.O.O.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[La].[La]
InChIInChI=1S/C3HO9.7CH4.2La.3H3N.9H2O/c4-1-8-10-3(6)12-11-2(5)9-7;;;;;;;;;;;;;;;;;;;;;/h7H;7*1H4;;;3*1H3;9*1H2/q-1;;;;;;;;;;;;;;;;;;;;;
InChIKeyUEKZPMNFHJQZAH-UHFFFAOYSA-N
XLogP-2.80
TPSA506.09 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.37
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate?
The IUPAC name of azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate (CID 161204835) is azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate.
What is the SMILES notation for azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate?
The canonical SMILES for azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate is C.C.C.C.C.C.C.N.N.N.O.O.O.O.O.O.O.O.O.O=[C-]OOC(=O)OOC(=O)OO.[La].[La].
What is the InChIKey of azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate?
The InChIKey is UEKZPMNFHJQZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HO9.7CH4.2La.3H3N.9H2O/c4-1-8-10-3(6)12-11-2(5)9-7;;;;;;;;;;;;;;;;;;;;;/h7H;7*1H4;;;3*1H3;9*1H2/q-1;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate?
azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate has a molecular weight of 784.37 g/mol, XLogP of -2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonoperoxoyloxy oxomethoxy carbonate;lanthanum;methane;nonahydrate is sourced from PubChem (CID 161204835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).