sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate

C48H89Cu2N6NaO19SSi4 — CID 158593783

IUPACsodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate
SMILESC#Cc1ccccc1.CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCN=[N+]=[N-].CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCn1cc(-c2ccccc2)nn1.O.O.O.O.O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.O=S(=O)(O)O.[Cu].[Cu].[Na+]
InChIInChI=1S/C21H35N3O2Si2.C13H29N3O2Si2.C8H6.C6H8O6.2Cu.Na.H2O4S.5H2O/c1-19(25)12-9-10-16-27(2,3)26-28(4,5)17-11-15-24-18-21(22-23-24)20-13-7-6-8-14-20;1-13(17)9-6-7-11-19(2,3)18-20(4,5)12-8-10-15-16-14;1-2-8-6-4-3-5-7-8;7-1-2(8)5-3(9)4(10)6(11)12-5;;;;1-5(2,3)4;;;;;/h6-8,13-14,18H,9-12,15-17H2,1-5H3;6-12H2,1-5H3;1,3-7H;2,5,7-10H,1H2;;;;(H2,1,2,3,4);5*1H2/q;;;;;;+1;;;;;;/p-1/t;;;2-,5+;;;;;;;;;/m...0........./s1
InChIKeyHWNPOVHXMOHXMU-HTMJBHNZSA-M
MW1348.76 g/mol
LogP1.68
Rot. Bonds25

About sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate

sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate (PubChem CID 158593783) has the molecular formula C48H89Cu2N6NaO19SSi4 and a molecular weight of 1348.76 g/mol. Its IUPAC name is sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate.

Molecular Properties

Compound Namesodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate
PubChem CID158593783
Molecular FormulaC48H89Cu2N6NaO19SSi4
Molecular Weight1348.76 g/mol
Exact Mass1346.35
IUPAC Namesodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate
SMILESC#Cc1ccccc1.CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCN=[N+]=[N-].CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCn1cc(-c2ccccc2)nn1.O.O.O.O.O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.O=S(=O)(O)O.[Cu].[Cu].[Na+]
InChIInChI=1S/C21H35N3O2Si2.C13H29N3O2Si2.C8H6.C6H8O6.2Cu.Na.H2O4S.5H2O/c1-19(25)12-9-10-16-27(2,3)26-28(4,5)17-11-15-24-18-21(22-23-24)20-13-7-6-8-14-20;1-13(17)9-6-7-11-19(2,3)18-20(4,5)12-8-10-15-16-14;1-2-8-6-4-3-5-7-8;7-1-2(8)5-3(9)4(10)6(11)12-5;;;;1-5(2,3)4;;;;;/h6-8,13-14,18H,9-12,15-17H2,1-5H3;6-12H2,1-5H3;1,3-7H;2,5,7-10H,1H2;;;;(H2,1,2,3,4);5*1H2/q;;;;;;+1;;;;;;/p-1/t;;;2-,5+;;;;;;;;;/m...0........./s1
InChIKeyHWNPOVHXMOHXMU-HTMJBHNZSA-M
XLogP1.68
TPSA474.22 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.76
LogP ≤ 51.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate?
The IUPAC name of sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate (CID 158593783) is sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate.
What is the SMILES notation for sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate?
The canonical SMILES for sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate is C#Cc1ccccc1.CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCN=[N+]=[N-].CC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCn1cc(-c2ccccc2)nn1.O.O.O.O.O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.O=S(=O)(O)O.[Cu].[Cu].[Na+].
What is the InChIKey of sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate?
The InChIKey is HWNPOVHXMOHXMU-HTMJBHNZSA-M. The full InChI is InChI=1S/C21H35N3O2Si2.C13H29N3O2Si2.C8H6.C6H8O6.2Cu.Na.H2O4S.5H2O/c1-19(25)12-9-10-16-27(2,3)26-28(4,5)17-11-15-24-18-21(22-23-24)20-13-7-6-8-14-20;1-13(17)9-6-7-11-19(2,3)18-20(4,5)12-8-10-15-16-14;1-2-8-6-4-3-5-7-8;7-1-2(8)5-3(9)4(10)6(11)12-5;;;;1-5(2,3)4;;;;;/h6-8,13-14,18H,9-12,15-17H2,1-5H3;6-12H2,1-5H3;1,3-7H;2,5,7-10H,1H2;;;;(H2,1,2,3,4);5*1H2/q;;;;;;+1;;;;;;/p-1/t;;;2-,5+;;;;;;;;;/m...0........./s1.
What are the key properties of sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate?
sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate has a molecular weight of 1348.76 g/mol, XLogP of 1.68, 25 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]hexan-2-one;copper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;6-[[dimethyl-[3-(4-phenyltriazol-1-yl)propyl]silyl]oxy-dimethylsilyl]hexan-2-one;ethynylbenzene;sulfuric acid;pentahydrate is sourced from PubChem (CID 158593783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).