N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide

C30H51N7O8Si2 — CID 90194708

About N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide

N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide (PubChem CID 90194708) has the molecular formula C30H51N7O8Si2 and a molecular weight of 693.95 g/mol. Its IUPAC name is N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide
• PubChem CID: 90194708
• Molecular Formula: C30H51N7O8Si2
• Molecular Weight: 693.95 g/mol
• Exact Mass: 693.33
• IUPAC Name: N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide
• SMILES: CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@@]1(C)NC(=O)NC(C)=O
• InChI: InChI=1S/C30H51N7O8Si2/c1-13-41-26-23-25(34-28(35-26)32-20(10)38)37(15-31-23)27-30(12,36-29(40)33-21(11)39)24-22(43-27)14-42-46(16(2)3,17(4)5)45-47(44-24,18(6)7)19(8)9/h15-19,22,24,27H,13-14H2,1-12H3,(H,32,34,35,38)(H2,33,36,39,40)/t22-,24?,27-,30-/m1/s1
• InChIKey: KFKJEVIHPOSFTO-PFJKIZQISA-N
• XLogP: 4.64
• TPSA: 177.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.95
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide?

The IUPAC name of N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide (CID 90194708) is N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide.

What is the SMILES notation for N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide?

The canonical SMILES for N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide is CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC2[C@@]1(C)NC(=O)NC(C)=O.

What is the InChIKey of N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide?

The InChIKey is KFKJEVIHPOSFTO-PFJKIZQISA-N. The full InChI is InChI=1S/C30H51N7O8Si2/c1-13-41-26-23-25(34-28(35-26)32-20(10)38)37(15-31-23)27-30(12,36-29(40)33-21(11)39)24-22(43-27)14-42-46(16(2)3,17(4)5)45-47(44-24,18(6)7)19(8)9/h15-19,22,24,27H,13-14H2,1-12H3,(H,32,34,35,38)(H2,33,36,39,40)/t22-,24?,27-,30-/m1/s1.

What are the key properties of N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide?

N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide has a molecular weight of 693.95 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(6aR,8R,9R)-9-(acetylcarbamoylamino)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-ethoxypurin-2-yl]acetamide is sourced from PubChem (CID 90194708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).