(6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol

C26H43NO6Si2 — CID 167492254

About (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol

(6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol (PubChem CID 167492254) has the molecular formula C26H43NO6Si2 and a molecular weight of 521.80 g/mol. Its IUPAC name is (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol.

Molecular Properties

• Compound Name: (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
• PubChem CID: 167492254
• Molecular Formula: C26H43NO6Si2
• Molecular Weight: 521.80 g/mol
• Exact Mass: 521.26
• IUPAC Name: (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc4ccccc43)[C@H](O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C26H43NO6Si2/c1-16(2)34(17(3)4)30-15-22-25(32-35(33-34,18(5)6)19(7)8)23(28)24(29)26(31-22)27-14-13-20-11-9-10-12-21(20)27/h9-14,16-19,22-26,28-29H,15H2,1-8H3/t22-,23-,24-,25-,26-/m1/s1
• InChIKey: UBJWXZCLXMRFTJ-ZFXZZAOISA-N
• XLogP: 5.22
• TPSA: 82.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.80
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?

The IUPAC name of (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol (CID 167492254) is (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol.

What is the SMILES notation for (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?

The canonical SMILES for (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc4ccccc43)[C@H](O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?

The InChIKey is UBJWXZCLXMRFTJ-ZFXZZAOISA-N. The full InChI is InChI=1S/C26H43NO6Si2/c1-16(2)34(17(3)4)30-15-22-25(32-35(33-34,18(5)6)19(7)8)23(28)24(29)26(31-22)27-14-13-20-11-9-10-12-21(20)27/h9-14,16-19,22-26,28-29H,15H2,1-8H3/t22-,23-,24-,25-,26-/m1/s1.

What are the key properties of (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?

(6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol has a molecular weight of 521.80 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol is sourced from PubChem (CID 167492254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).