tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane

C24H41Cl2N3O3Si2 — CID 59189418

About tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane (PubChem CID 59189418) has the molecular formula C24H41Cl2N3O3Si2 and a molecular weight of 546.69 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane
• PubChem CID: 59189418
• Molecular Formula: C24H41Cl2N3O3Si2
• Molecular Weight: 546.69 g/mol
• Exact Mass: 545.21
• IUPAC Name: tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(CCl)c3c(Cl)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H41Cl2N3O3Si2/c1-23(2,3)33(7,8)30-14-18-17(32-34(9,10)24(4,5)6)11-19(31-18)29-13-16(12-25)20-21(26)27-15-28-22(20)29/h13,15,17-19H,11-12,14H2,1-10H3/t17-,18-,19-/m1/s1
• InChIKey: UNARSJOBYSDASP-GUDVDZBRSA-N
• XLogP: 7.52
• TPSA: 58.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.69
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane (CID 59189418) is tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(CCl)c3c(Cl)ncnc32)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane?

The InChIKey is UNARSJOBYSDASP-GUDVDZBRSA-N. The full InChI is InChI=1S/C24H41Cl2N3O3Si2/c1-23(2,3)33(7,8)30-14-18-17(32-34(9,10)24(4,5)6)11-19(31-18)29-13-16(12-25)20-21(26)27-15-28-22(20)29/h13,15,17-19H,11-12,14H2,1-10H3/t17-,18-,19-/m1/s1.

What are the key properties of tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane has a molecular weight of 546.69 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[4-chloro-5-(chloromethyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 59189418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).