(4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline

C40H62O9SSi2 — CID 90871855

About (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline

(4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline (PubChem CID 90871855) has the molecular formula C40H62O9SSi2 and a molecular weight of 775.17 g/mol. Its IUPAC name is (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline.

Molecular Properties

• Compound Name: (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline
• PubChem CID: 90871855
• Molecular Formula: C40H62O9SSi2
• Molecular Weight: 775.17 g/mol
• Exact Mass: 774.37
• IUPAC Name: (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline
• SMILES: CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@H](S(=O)[C@H]3O[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4[C@@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1
• InChI: InChI=1S/C40H62O9SSi2/c1-37(2,3)51(38(4,5)6)44-25-29-31(48-51)33(42-23-27-19-15-13-16-20-27)35(46-29)50(41)36-34(43-24-28-21-17-14-18-22-28)32-30(47-36)26-45-52(49-32,39(7,8)9)40(10,11)12/h13-22,29-36H,23-26H2,1-12H3/t29-,30-,31-,32-,33+,34+,35-,36-/m1/s1
• InChIKey: VIKJHVNFUXDELQ-MEAIVXSLSA-N
• XLogP: 8.27
• TPSA: 90.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.17
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline?

The IUPAC name of (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline (CID 90871855) is (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline.

What is the SMILES notation for (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline?

The canonical SMILES for (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline is CC(C)(C)[Si]1(C(C)(C)C)OC[C@H]2O[C@H](S(=O)[C@H]3O[C@@H]4CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]4[C@@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1.

What is the InChIKey of (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline?

The InChIKey is VIKJHVNFUXDELQ-MEAIVXSLSA-N. The full InChI is InChI=1S/C40H62O9SSi2/c1-37(2,3)51(38(4,5)6)44-25-29-31(48-51)33(42-23-27-19-15-13-16-20-27)35(46-29)50(41)36-34(43-24-28-21-17-14-18-22-28)32-30(47-36)26-45-52(49-32,39(7,8)9)40(10,11)12/h13-22,29-36H,23-26H2,1-12H3/t29-,30-,31-,32-,33+,34+,35-,36-/m1/s1.

What are the key properties of (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline?

(4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline has a molecular weight of 775.17 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4aR,6R,7S,7aR)-6-[[(4aR,6R,7S,7aR)-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]sulfinyl]-2,2-ditert-butyl-7-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasiline is sourced from PubChem (CID 90871855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).