[(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

C32H40O6SSi — CID 58758301

About [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane

[(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 58758301) has the molecular formula C32H40O6SSi and a molecular weight of 580.82 g/mol. Its IUPAC name is [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 58758301
• Molecular Formula: C32H40O6SSi
• Molecular Weight: 580.82 g/mol
• Exact Mass: 580.23
• IUPAC Name: [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC1[C@@H](OCc2ccccc2)[C@H]2OC(c3ccccc3)OCC2O[C@H]1S(=O)c1ccccc1
• InChI: InChI=1S/C32H40O6SSi/c1-32(2,3)40(4,5)38-29-28(34-21-23-15-9-6-10-16-23)27-26(22-35-30(37-27)24-17-11-7-12-18-24)36-31(29)39(33)25-19-13-8-14-20-25/h6-20,26-31H,21-22H2,1-5H3/t26?,27-,28-,29?,30?,31-,39?/m0/s1
• InChIKey: MGYNIRFTTNQEGD-JGNHIUPFSA-N
• XLogP: 6.61
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.82
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane (CID 58758301) is [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1[C@@H](OCc2ccccc2)[C@H]2OC(c3ccccc3)OCC2O[C@H]1S(=O)c1ccccc1.

What is the InChIKey of [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is MGYNIRFTTNQEGD-JGNHIUPFSA-N. The full InChI is InChI=1S/C32H40O6SSi/c1-32(2,3)40(4,5)38-29-28(34-21-23-15-9-6-10-16-23)27-26(22-35-30(37-27)24-17-11-7-12-18-24)36-31(29)39(33)25-19-13-8-14-20-25/h6-20,26-31H,21-22H2,1-5H3/t26?,27-,28-,29?,30?,31-,39?/m0/s1.

What are the key properties of [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane?

[(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 580.82 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S,8S,8aS)-6-(benzenesulfinyl)-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58758301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).