4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one

C35H50FN3O4Si2 — CID 175677917

About 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one (PubChem CID 175677917) has the molecular formula C35H50FN3O4Si2 and a molecular weight of 651.97 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one
• PubChem CID: 175677917
• Molecular Formula: C35H50FN3O4Si2
• Molecular Weight: 651.97 g/mol
• Exact Mass: 651.33
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one
• SMILES: CC/C=C/[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H50FN3O4Si2/c1-10-11-23-35(25-41-45(34(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27)30(43-44(8,9)33(2,3)4)29(36)31(42-35)39-24-22-28(37)38-32(39)40/h11-24,29-31H,10,25H2,1-9H3,(H2,37,38,40)/b23-11+/t29-,30+,31-,35-/m1/s1
• InChIKey: DGCSBPCYELCDAI-DMLIPJIJSA-N
• XLogP: 6.36
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.97
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one (CID 175677917) is 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one is CC/C=C/[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one?

The InChIKey is DGCSBPCYELCDAI-DMLIPJIJSA-N. The full InChI is InChI=1S/C35H50FN3O4Si2/c1-10-11-23-35(25-41-45(34(5,6)7,26-18-14-12-15-19-26)27-20-16-13-17-21-27)30(43-44(8,9)33(2,3)4)29(36)31(42-35)39-24-22-28(37)38-32(39)40/h11-24,29-31H,10,25H2,1-9H3,(H2,37,38,40)/b23-11+/t29-,30+,31-,35-/m1/s1.

What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one?

4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one has a molecular weight of 651.97 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-5-[(E)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 175677917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).