oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate

C11H41Ac10N7No7NpO10P2-2 — CID 50912641

IUPACoxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate
SMILESCCCCC[n+]1cccc(CN)c1.O.O=P(O)(O)O.O=P(O)(O)[OH2+].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[No].[No].[No].[No].[No].[No].[No].[Np].[OH3+]
InChIInChI=1S/C11H19N2.10Ac.5H2N.7No.Np.2H3O4P.2H2O/c1-2-3-4-7-13-8-5-6-11(9-12)10-13;;;;;;;;;;;;;;;;;;;;;;;;2*1-5(2,3)4;;/h5-6,8,10H,2-4,7,9,12H2,1H3;;;;;;;;;;;5*1H2;;;;;;;;;2*(H3,1,2,3,4);2*1H2/q+1;;;;;;;;;;;5*-1;;;;;;;;;;;;/p+2
InChIKeyJRZRIYJHTSQNQR-UHFFFAOYSA-P
MW4813.44 g/mol
LogP1.34
Rot. Bonds5

About oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate

oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate (PubChem CID 50912641) has the molecular formula C11H41Ac10N7No7NpO10P2-2 and a molecular weight of 4813.44 g/mol. Its IUPAC name is oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate.

Molecular Properties

Compound Nameoxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate
PubChem CID50912641
Molecular FormulaC11H41Ac10N7No7NpO10P2-2
Molecular Weight4813.44 g/mol
Exact Mass4813.27
IUPAC Nameoxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate
SMILESCCCCC[n+]1cccc(CN)c1.O.O=P(O)(O)O.O=P(O)(O)[OH2+].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[No].[No].[No].[No].[No].[No].[No].[Np].[OH3+]
InChIInChI=1S/C11H19N2.10Ac.5H2N.7No.Np.2H3O4P.2H2O/c1-2-3-4-7-13-8-5-6-11(9-12)10-13;;;;;;;;;;;;;;;;;;;;;;;;2*1-5(2,3)4;;/h5-6,8,10H,2-4,7,9,12H2,1H3;;;;;;;;;;;5*1H2;;;;;;;;;2*(H3,1,2,3,4);2*1H2/q+1;;;;;;;;;;;5*-1;;;;;;;;;;;;/p+2
InChIKeyJRZRIYJHTSQNQR-UHFFFAOYSA-P
XLogP1.34
TPSA420.09 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004813.44
LogP ≤ 51.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-tetradecylpyridin-1-ium-3-yl)methanol
CID 11760839
1-decyl-3-ethylpyridin-1-ium;methanesulfonic acid
CID 175583411
1-hexyl-3-nonadecylpyridin-1-ium
CID 69397538
3-butyl-1-heptadecylpyridin-1-ium
CID 69395997
3-decyl-1-nonylpyridin-1-ium
CID 69391901
1-decyl-3-tetradecylpyridin-1-ium
CID 69387489
3-hexadecyl-1-octadecylpyridin-1-ium
CID 69395043
3-butyl-1-hexadecylpyridin-1-ium
CID 69391952
3-octyl-1-undecylpyridin-1-ium
CID 69390098
1-dodecyl-3-heptadecylpyridin-1-ium
CID 69396835
3-nonadecyl-1-tridecylpyridin-1-ium
CID 69393724
1-hexyl-3-tridecylpyridin-1-ium
CID 69392131

Frequently Asked Questions

What is the IUPAC name of oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate?
The IUPAC name of oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate (CID 50912641) is oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate.
What is the SMILES notation for oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate?
The canonical SMILES for oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate is CCCCC[n+]1cccc(CN)c1.O.O=P(O)(O)O.O=P(O)(O)[OH2+].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[No].[No].[No].[No].[No].[No].[No].[Np].[OH3+].
What is the InChIKey of oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate?
The InChIKey is JRZRIYJHTSQNQR-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H19N2.10Ac.5H2N.7No.Np.2H3O4P.2H2O/c1-2-3-4-7-13-8-5-6-11(9-12)10-13;;;;;;;;;;;;;;;;;;;;;;;;2*1-5(2,3)4;;/h5-6,8,10H,2-4,7,9,12H2,1H3;;;;;;;;;;;5*1H2;;;;;;;;;2*(H3,1,2,3,4);2*1H2/q+1;;;;;;;;;;;5*-1;;;;;;;;;;;;/p+2.
What are the key properties of oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate?
oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate has a molecular weight of 4813.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxidanium;actinium;azanide;neptunium;nobelium;(1-pentylpyridin-1-ium-3-yl)methanamine;phosphonooxidanium;phosphoric acid;hydrate is sourced from PubChem (CID 50912641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).