2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one

C48H86N10O8Si3 — CID 136784465

About 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 136784465) has the molecular formula C48H86N10O8Si3 and a molecular weight of 1015.54 g/mol. Its IUPAC name is 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

• Compound Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one
• PubChem CID: 136784465
• Molecular Formula: C48H86N10O8Si3
• Molecular Weight: 1015.54 g/mol
• Exact Mass: 1014.59
• IUPAC Name: 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one
• SMILES: CCCCCC[Si](CCCCCC)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C(C)C)O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C(C)C
• InChI: InChI=1S/C48H86N10O8Si3/c1-15-17-19-21-23-69(24-22-20-18-16-2,62-28-36-33(65-68(13,14)48(9,10)32(5)6)25-37(64-36)57-29-51-39-41(57)53-45(49)55-43(39)59)66-34-26-38(58-30-52-40-42(58)54-46(50)56-44(40)60)63-35(34)27-61-67(11,12)47(7,8)31(3)4/h29-38H,15-28H2,1-14H3,(H3,49,53,55,59)(H3,50,54,56,60)/t33-,34-,35+,36+,37+,38+/m0/s1
• InChIKey: ANHQLDDMGXTJFS-CXPJILFNSA-N
• XLogP: 9.68
• TPSA: 234.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.54
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one?

The IUPAC name of 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one (CID 136784465) is 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one.

What is the SMILES notation for 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one?

The canonical SMILES for 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one is CCCCCC[Si](CCCCCC)(OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1O[Si](C)(C)C(C)(C)C(C)C)O[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C(C)C.

What is the InChIKey of 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one?

The InChIKey is ANHQLDDMGXTJFS-CXPJILFNSA-N. The full InChI is InChI=1S/C48H86N10O8Si3/c1-15-17-19-21-23-69(24-22-20-18-16-2,62-28-36-33(65-68(13,14)48(9,10)32(5)6)25-37(64-36)57-29-51-39-41(57)53-45(49)55-43(39)59)66-34-26-38(58-30-52-40-42(58)54-46(50)56-44(40)60)63-35(34)27-61-67(11,12)47(7,8)31(3)4/h29-38H,15-28H2,1-14H3,(H3,49,53,55,59)(H3,50,54,56,60)/t33-,34-,35+,36+,37+,38+/m0/s1.

What are the key properties of 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one?

2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 1015.54 g/mol, XLogP of 9.68, 26 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-dihexylsilyl]oxymethyl]-4-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 136784465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).