(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

C36H37N5O4Si2 — CID 24866592

About (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 24866592) has the molecular formula C36H37N5O4Si2 and a molecular weight of 659.90 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
• PubChem CID: 24866592
• Molecular Formula: C36H37N5O4Si2
• Molecular Weight: 659.90 g/mol
• Exact Mass: 659.24
• IUPAC Name: (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
• SMILES: C[Si](OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(c2ccccc2)c2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H37N5O4Si2/c1-46(26-15-7-3-8-16-26,27-17-9-4-10-18-27)43-23-30-32(42)33(36(44-30)41-25-40-31-34(37)38-24-39-35(31)41)45-47(2,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25,30,32-33,36,42H,23H2,1-2H3,(H2,37,38,39)/t30-,32-,33+,36-/m1/s1
• InChIKey: PDLLPQVIRVBBSF-MZONXJPGSA-N
• XLogP: 2.85
• TPSA: 117.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.90
LogP ≤ 5	2.85
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 (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?

The IUPAC name of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (CID 24866592) is (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

What is the SMILES notation for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?

The canonical SMILES for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is C[Si](OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(c2ccccc2)c2ccccc2)[C@@H]1O)(c1ccccc1)c1ccccc1.

What is the InChIKey of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?

The InChIKey is PDLLPQVIRVBBSF-MZONXJPGSA-N. The full InChI is InChI=1S/C36H37N5O4Si2/c1-46(26-15-7-3-8-16-26,27-17-9-4-10-18-27)43-23-30-32(42)33(36(44-30)41-25-40-31-34(37)38-24-39-35(31)41)45-47(2,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25,30,32-33,36,42H,23H2,1-2H3,(H2,37,38,39)/t30-,32-,33+,36-/m1/s1.

What are the key properties of (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?

(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 659.90 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-[methyl(diphenyl)silyl]oxy-2-[[methyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 24866592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).