2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane

C61H108N6O16Si4Sn — CID 159303096

About 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane

2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane (PubChem CID 159303096) has the molecular formula C61H108N6O16Si4Sn and a molecular weight of 1412.62 g/mol. Its IUPAC name is 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane.

Molecular Properties

• Compound Name: 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane
• PubChem CID: 159303096
• Molecular Formula: C61H108N6O16Si4Sn
• Molecular Weight: 1412.62 g/mol
• Exact Mass: 1412.59
• IUPAC Name: 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](C#N)(n3ccc(=O)[nH]c3=O)[C@@H](C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CCCC[SnH](CCCC)CCCC.COC(=O)C(=O)O[C@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@@]1(C#N)n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C26H41N3O10Si2.C23H39N3O6Si2.3C4H9.Sn.H/c1-15(2)40(16(3)4)35-13-19-21(38-41(39-40,17(5)6)18(7)8)25(9,37-23(32)22(31)34-10)26(14-27,36-19)29-12-11-20(30)28-24(29)33;1-14(2)33(15(3)4)29-12-19-21(31-34(32-33,16(5)6)17(7)8)18(9)23(13-24,30-19)26-11-10-20(27)25-22(26)28;3*1-3-4-2;;/h11-12,15-19,21H,13H2,1-10H3,(H,28,30,33);10-11,14-19,21H,12H2,1-9H3,(H,25,27,28);3*1,3-4H2,2H3;;/t19-,21-,25-,26-;18-,19+,21-,23+;;;;;/m10...../s1
• InChIKey: LBORRRUCEUXBIS-KVWVCWJPSA-N
• XLogP: 10.86
• TPSA: 283.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.62
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane?

The IUPAC name of 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane (CID 159303096) is 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane.

What is the SMILES notation for 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane?

The canonical SMILES for 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](C#N)(n3ccc(=O)[nH]c3=O)[C@@H](C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CCCC[SnH](CCCC)CCCC.COC(=O)C(=O)O[C@]1(C)[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@@]1(C#N)n1ccc(=O)[nH]c1=O.

What is the InChIKey of 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane?

The InChIKey is LBORRRUCEUXBIS-KVWVCWJPSA-N. The full InChI is InChI=1S/C26H41N3O10Si2.C23H39N3O6Si2.3C4H9.Sn.H/c1-15(2)40(16(3)4)35-13-19-21(38-41(39-40,17(5)6)18(7)8)25(9,37-23(32)22(31)34-10)26(14-27,36-19)29-12-11-20(30)28-24(29)33;1-14(2)33(15(3)4)29-12-19-21(31-34(32-33,16(5)6)17(7)8)18(9)23(13-24,30-19)26-11-10-20(27)25-22(26)28;3*1-3-4-2;;/h11-12,15-19,21H,13H2,1-10H3,(H,28,30,33);10-11,14-19,21H,12H2,1-9H3,(H,25,27,28);3*1,3-4H2,2H3;;/t19-,21-,25-,26-;18-,19+,21-,23+;;;;;/m10...../s1.

What are the key properties of 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane?

2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane has a molecular weight of 1412.62 g/mol, XLogP of 10.86, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-O-[(6aR,8R,9R,9aR)-8-cyano-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] 1-O-methyl oxalate;(6aR,8S,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8-carbonitrile;tributylstannane is sourced from PubChem (CID 159303096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).