N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide

C29H52ClN5O6Si3 — CID 166015859

About N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide

N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide (PubChem CID 166015859) has the molecular formula C29H52ClN5O6Si3 and a molecular weight of 686.47 g/mol. Its IUPAC name is N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide
• PubChem CID: 166015859
• Molecular Formula: C29H52ClN5O6Si3
• Molecular Weight: 686.47 g/mol
• Exact Mass: 685.29
• IUPAC Name: N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC4[C@@H]3O[Si](C)(C)C)c2n1
• InChI: InChI=1S/C29H52ClN5O6Si3/c1-16(2)27(36)34-29-32-25(30)22-26(33-29)35(15-31-22)28-24(39-42(11,12)13)23-21(38-28)14-37-43(17(3)4,18(5)6)41-44(40-23,19(7)8)20(9)10/h15-21,23-24,28H,14H2,1-13H3,(H,32,33,34,36)/t21-,23?,24+,28-/m1/s1
• InChIKey: FCTKCGAQRSYBPI-XFSSTXOUSA-N
• XLogP: 7.15
• TPSA: 118.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.47
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide (CID 166015859) is N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC4[C@@H]3O[Si](C)(C)C)c2n1.

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

The InChIKey is FCTKCGAQRSYBPI-XFSSTXOUSA-N. The full InChI is InChI=1S/C29H52ClN5O6Si3/c1-16(2)27(36)34-29-32-25(30)22-26(33-29)35(15-31-22)28-24(39-42(11,12)13)23-21(38-28)14-37-43(17(3)4,18(5)6)41-44(40-23,19(7)8)20(9)10/h15-21,23-24,28H,14H2,1-13H3,(H,32,33,34,36)/t21-,23?,24+,28-/m1/s1.

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

N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide has a molecular weight of 686.47 g/mol, XLogP of 7.15, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(6aR,8R,9S)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 166015859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).