[(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate

C30H47O9PSi2 — CID 11125086

About [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate

[(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate (PubChem CID 11125086) has the molecular formula C30H47O9PSi2 and a molecular weight of 638.84 g/mol. Its IUPAC name is [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate.

Molecular Properties

• Compound Name: [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate
• PubChem CID: 11125086
• Molecular Formula: C30H47O9PSi2
• Molecular Weight: 638.84 g/mol
• Exact Mass: 638.25
• IUPAC Name: [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate
• SMILES: CO[C@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1
• InChI: InChI=1S/C30H47O9PSi2/c1-21(2)41(22(3)4)33-20-27-28(38-42(39-41,23(5)6)24(7)8)29(30(32-9)34-27)37-40(31,35-25-16-12-10-13-17-25)36-26-18-14-11-15-19-26/h10-19,21-24,27-30H,20H2,1-9H3/t27-,28-,29-,30+/m1/s1
• InChIKey: KSZPVCWUIRPMBC-CSBHBGLHSA-N
• XLogP: 7.97
• TPSA: 90.91 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.84
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate?

The IUPAC name of [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate (CID 11125086) is [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate.

What is the SMILES notation for [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate?

The canonical SMILES for [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate is CO[C@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OP(=O)(Oc1ccccc1)Oc1ccccc1.

What is the InChIKey of [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate?

The InChIKey is KSZPVCWUIRPMBC-CSBHBGLHSA-N. The full InChI is InChI=1S/C30H47O9PSi2/c1-21(2)41(22(3)4)33-20-27-28(38-42(39-41,23(5)6)24(7)8)29(30(32-9)34-27)37-40(31,35-25-16-12-10-13-17-25)36-26-18-14-11-15-19-26/h10-19,21-24,27-30H,20H2,1-9H3/t27-,28-,29-,30+/m1/s1.

What are the key properties of [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate?

[(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate has a molecular weight of 638.84 g/mol, XLogP of 7.97, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate is sourced from PubChem (CID 11125086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).