9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine

C64H112Cl2N10O11Si6 — CID 162149145

About 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine

9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine (PubChem CID 162149145) has the molecular formula C64H112Cl2N10O11Si6 and a molecular weight of 1437.08 g/mol. Its IUPAC name is 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine.

Molecular Properties

• Compound Name: 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine
• PubChem CID: 162149145
• Molecular Formula: C64H112Cl2N10O11Si6
• Molecular Weight: 1437.08 g/mol
• Exact Mass: 1434.65
• IUPAC Name: 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)nc(OCCc5ccc(Cl)cc5)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C36H60ClN5O6Si3.C28H52ClN5O5Si3/c1-22(2)50(23(3)4)44-20-28-30(47-51(48-50,24(5)6)25(7)8)31(46-49(12,13)36(9,10)11)34(45-28)42-21-39-29-32(38)40-35(41-33(29)42)43-19-18-26-14-16-27(37)17-15-26;1-16(2)41(17(3)4)35-14-20-22(38-42(39-41,18(5)6)19(7)8)23(37-40(12,13)28(9,10)11)26(36-20)34-15-31-21-24(30)32-27(29)33-25(21)34/h14-17,21-25,28,30-31,34H,18-20H2,1-13H3,(H2,38,40,41);15-20,22-23,26H,14H2,1-13H3,(H2,30,32,33)/t28-,30-,31-,34-;20-,22-,23-,26-/m11/s1
• InChIKey: ZKYPNWYUKOZVKG-KWWVCTPISA-N
• XLogP: 16.23
• TPSA: 240.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.08
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine?

The IUPAC name of 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine (CID 162149145) is 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine.

What is the SMILES notation for 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine?

The canonical SMILES for 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)nc(OCCc5ccc(Cl)cc5)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine?

The InChIKey is ZKYPNWYUKOZVKG-KWWVCTPISA-N. The full InChI is InChI=1S/C36H60ClN5O6Si3.C28H52ClN5O5Si3/c1-22(2)50(23(3)4)44-20-28-30(47-51(48-50,24(5)6)25(7)8)31(46-49(12,13)36(9,10)11)34(45-28)42-21-39-29-32(38)40-35(41-33(29)42)43-19-18-26-14-16-27(37)17-15-26;1-16(2)41(17(3)4)35-14-20-22(38-42(39-41,18(5)6)19(7)8)23(37-40(12,13)28(9,10)11)26(36-20)34-15-31-21-24(30)32-27(29)33-25(21)34/h14-17,21-25,28,30-31,34H,18-20H2,1-13H3,(H2,38,40,41);15-20,22-23,26H,14H2,1-13H3,(H2,30,32,33)/t28-,30-,31-,34-;20-,22-,23-,26-/m11/s1.

What are the key properties of 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine?

9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine has a molecular weight of 1437.08 g/mol, XLogP of 16.23, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-[2-(4-chlorophenyl)ethoxy]purin-6-amine;9-[(6aR,8R,9R,9aR)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-2-chloropurin-6-amine is sourced from PubChem (CID 162149145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).