diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide

C133H246Br3I2N6O19P3S2Si3V — CID 160838694

About diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide

diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide (PubChem CID 160838694) has the molecular formula C133H246Br3I2N6O19P3S2Si3V and a molecular weight of 3019.23 g/mol. Its IUPAC name is diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide.

Molecular Properties

• Compound Name: diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide
• PubChem CID: 160838694
• Molecular Formula: C133H246Br3I2N6O19P3S2Si3V
• Molecular Weight: 3019.23 g/mol
• Exact Mass: 3014.15
• IUPAC Name: diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide
• SMILES: C.C.C.C.C.CCCC[P+](CCCC)(CCCC)CCCC(=O)CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC.CCCC[P+](CCCC)(CCCC)CCCC(C)(CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC)Sc1ccccc1.CCCC[P+](CCCC)(CCCC)CCCC(C)(CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC)Sc1ccccc1.I[V]I.[Br-].[Br-].[Br-]
• InChI: InChI=1S/2C45H77N2O6PSSi.C38H69N2O7PSi.5CH4.3BrH.2HI.V/c2*1-12-16-30-54(31-17-13-2,32-18-14-3)33-22-27-45(11,55-37-23-20-19-21-24-37)28-25-40(49)52-41-38(15-4)51-43(47-29-26-39(48)46-44(47)50)42(41)53-56(34(5)6,35(7)8)36(9)10;1-11-15-24-48(25-16-12-2,26-17-13-3)27-18-19-31(41)20-21-34(43)46-35-32(14-4)45-37(40-23-22-33(42)39-38(40)44)36(35)47-49(28(5)6,29(7)8)30(9)10;;;;;;;;;;;/h2*19-21,23-24,26,29,34-36,38,41-43H,12-18,22,25,27-28,30-33H2,1-11H3;22-23,28-30,32,35-37H,11-21,24-27H2,1-10H3;5*1H4;5*1H;/q;;;;;;;;;;;;;+2/p-2/t2*38-,41+,42?,43-,45?;32-,35+,36?,37-;;;;;;;;;;;/m111.........../s1
• InChIKey: QPAIYYIDICIJOF-IUQFLVKSSA-L
• XLogP: 28.52
• TPSA: 315.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 76
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3019.23
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide?

The IUPAC name of diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide (CID 160838694) is diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide.

What is the SMILES notation for diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide?

The canonical SMILES for diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide is C.C.C.C.C.CCCC[P+](CCCC)(CCCC)CCCC(=O)CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC.CCCC[P+](CCCC)(CCCC)CCCC(C)(CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC)Sc1ccccc1.CCCC[P+](CCCC)(CCCC)CCCC(C)(CCC(=O)O[C@@H]1C(O[Si](C(C)C)(C(C)C)C(C)C)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC)Sc1ccccc1.I[V]I.[Br-].[Br-].[Br-].

What is the InChIKey of diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide?

The InChIKey is QPAIYYIDICIJOF-IUQFLVKSSA-L. The full InChI is InChI=1S/2C45H77N2O6PSSi.C38H69N2O7PSi.5CH4.3BrH.2HI.V/c2*1-12-16-30-54(31-17-13-2,32-18-14-3)33-22-27-45(11,55-37-23-20-19-21-24-37)28-25-40(49)52-41-38(15-4)51-43(47-29-26-39(48)46-44(47)50)42(41)53-56(34(5)6,35(7)8)36(9)10;1-11-15-24-48(25-16-12-2,26-17-13-3)27-18-19-31(41)20-21-34(43)46-35-32(14-4)45-37(40-23-22-33(42)39-38(40)44)36(35)47-49(28(5)6,29(7)8)30(9)10;;;;;;;;;;;/h2*19-21,23-24,26,29,34-36,38,41-43H,12-18,22,25,27-28,30-33H2,1-11H3;22-23,28-30,32,35-37H,11-21,24-27H2,1-10H3;5*1H4;5*1H;/q;;;;;;;;;;;;;+2/p-2/t2*38-,41+,42?,43-,45?;32-,35+,36?,37-;;;;;;;;;;;/m111.........../s1.

What are the key properties of diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide?

diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide has a molecular weight of 3019.23 g/mol, XLogP of 28.52, 76 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for diiodovanadium;methane;tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4,7-dioxoheptyl]phosphanium;bis(tributyl-[7-[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-4-methyl-7-oxo-4-phenylsulfanylheptyl]phosphanium);tribromide is sourced from PubChem (CID 160838694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).