[(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol

C26H46N4O4Si2 — CID 24895803

About [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol

[(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol (PubChem CID 24895803) has the molecular formula C26H46N4O4Si2 and a molecular weight of 534.85 g/mol. Its IUPAC name is [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol
• PubChem CID: 24895803
• Molecular Formula: C26H46N4O4Si2
• Molecular Weight: 534.85 g/mol
• Exact Mass: 534.31
• IUPAC Name: [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c([C@H]4C[C@@H]4CO)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H46N4O4Si2/c1-25(2,3)35(7,8)32-14-20-19(34-36(9,10)26(4,5)6)12-21(33-20)30-16-29-23-22(18-11-17(18)13-31)27-15-28-24(23)30/h15-21,31H,11-14H2,1-10H3/t17-,18+,19+,20-,21-/m1/s1
• InChIKey: ZJZLBQAKIXQRIB-XDWAVFMPSA-N
• XLogP: 5.62
• TPSA: 91.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.85
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol?

The IUPAC name of [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol (CID 24895803) is [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol.

What is the SMILES notation for [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol?

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

What is the InChIKey of [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol?

The InChIKey is ZJZLBQAKIXQRIB-XDWAVFMPSA-N. The full InChI is InChI=1S/C26H46N4O4Si2/c1-25(2,3)35(7,8)32-14-20-19(34-36(9,10)26(4,5)6)12-21(33-20)30-16-29-23-22(18-11-17(18)13-31)27-15-28-24(23)30/h15-21,31H,11-14H2,1-10H3/t17-,18+,19+,20-,21-/m1/s1.

What are the key properties of [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol?

[(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol has a molecular weight of 534.85 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S)-2-[9-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]cyclopropyl]methanol is sourced from PubChem (CID 24895803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).