9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine

C41H64N6O4Si3 — CID 101179332

About 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine

9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine (PubChem CID 101179332) has the molecular formula C41H64N6O4Si3 and a molecular weight of 789.26 g/mol. Its IUPAC name is 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine.

Molecular Properties

• Compound Name: 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine
• PubChem CID: 101179332
• Molecular Formula: C41H64N6O4Si3
• Molecular Weight: 789.26 g/mol
• Exact Mass: 788.43
• IUPAC Name: 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Nc3ccc4c(c3)Cc3ccccc3-4)nc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C41H64N6O4Si3/c1-39(2,3)52(10,11)48-24-31-33(50-53(12,13)40(4,5)6)34(51-54(14,15)41(7,8)9)37(49-31)47-36-32(35(42)43-25-44-36)46-38(47)45-28-20-21-30-27(23-28)22-26-18-16-17-19-29(26)30/h16-21,23,25,31,33-34,37H,22,24H2,1-15H3,(H,45,46)(H2,42,43,44)/t31-,33-,34-,37-/m1/s1
• InChIKey: ADELITOUINFLOY-SPBWOXKUSA-N
• XLogP: 10.42
• TPSA: 118.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.26
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	2
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 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine?

The IUPAC name of 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine (CID 101179332) is 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine.

What is the SMILES notation for 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine?

The canonical SMILES for 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(Nc3ccc4c(c3)Cc3ccccc3-4)nc3c(N)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine?

The InChIKey is ADELITOUINFLOY-SPBWOXKUSA-N. The full InChI is InChI=1S/C41H64N6O4Si3/c1-39(2,3)52(10,11)48-24-31-33(50-53(12,13)40(4,5)6)34(51-54(14,15)41(7,8)9)37(49-31)47-36-32(35(42)43-25-44-36)46-38(47)45-28-20-21-30-27(23-28)22-26-18-16-17-19-29(26)30/h16-21,23,25,31,33-34,37H,22,24H2,1-15H3,(H,45,46)(H2,42,43,44)/t31-,33-,34-,37-/m1/s1.

What are the key properties of 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine?

9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine has a molecular weight of 789.26 g/mol, XLogP of 10.42, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-N-(9H-fluoren-2-yl)purine-6,8-diamine is sourced from PubChem (CID 101179332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).