2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol

C24H45N5O4Si2 — CID 59408165

About 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol

2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol (PubChem CID 59408165) has the molecular formula C24H45N5O4Si2 and a molecular weight of 523.83 g/mol. Its IUPAC name is 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol
• PubChem CID: 59408165
• Molecular Formula: C24H45N5O4Si2
• Molecular Weight: 523.83 g/mol
• Exact Mass: 523.30
• IUPAC Name: 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NCCO)ncnc32)CC1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H45N5O4Si2/c1-23(2,3)34(7,8)31-14-18-17(33-35(9,10)24(4,5)6)13-19(32-18)29-16-28-20-21(25-11-12-30)26-15-27-22(20)29/h15-19,30H,11-14H2,1-10H3,(H,25,26,27)/t17?,18-,19-/m1/s1
• InChIKey: UBUHGKUXANUYGB-OMKBGSMGSA-N
• XLogP: 4.93
• TPSA: 103.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.83
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol?

The IUPAC name of 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol (CID 59408165) is 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol.

What is the SMILES notation for 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol?

The canonical SMILES for 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(NCCO)ncnc32)CC1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol?

The InChIKey is UBUHGKUXANUYGB-OMKBGSMGSA-N. The full InChI is InChI=1S/C24H45N5O4Si2/c1-23(2,3)34(7,8)31-14-18-17(33-35(9,10)24(4,5)6)13-19(32-18)29-16-28-20-21(25-11-12-30)26-15-27-22(20)29/h15-19,30H,11-14H2,1-10H3,(H,25,26,27)/t17?,18-,19-/m1/s1.

What are the key properties of 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol?

2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol has a molecular weight of 523.83 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]amino]ethanol is sourced from PubChem (CID 59408165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).