[7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol

C24H42ClN3O4Si2 — CID 133268498

About [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol

[7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 133268498) has the molecular formula C24H42ClN3O4Si2 and a molecular weight of 528.24 g/mol. Its IUPAC name is [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

• Compound Name: [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol
• PubChem CID: 133268498
• Molecular Formula: C24H42ClN3O4Si2
• Molecular Weight: 528.24 g/mol
• Exact Mass: 527.24
• IUPAC Name: [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(CO)c3c(Cl)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H42ClN3O4Si2/c1-23(2,3)33(7,8)30-14-18-17(32-34(9,10)24(4,5)6)11-19(31-18)28-12-16(13-29)20-21(25)26-15-27-22(20)28/h12,15,17-19,29H,11,13-14H2,1-10H3/t17-,18+,19-/m1/s1
• InChIKey: AXAPBUXBGVNXIJ-CEXWTWQISA-N
• XLogP: 6.28
• TPSA: 78.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.24
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The IUPAC name of [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 133268498) is [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol.

What is the SMILES notation for [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The canonical SMILES for [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol is CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(CO)c3c(Cl)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol?

The InChIKey is AXAPBUXBGVNXIJ-CEXWTWQISA-N. The full InChI is InChI=1S/C24H42ClN3O4Si2/c1-23(2,3)33(7,8)30-14-18-17(32-34(9,10)24(4,5)6)11-19(31-18)28-12-16(13-29)20-21(25)26-15-27-22(20)28/h12,15,17-19,29H,11,13-14H2,1-10H3/t17-,18+,19-/m1/s1.

What are the key properties of [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol?

[7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 528.24 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(2R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 133268498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).