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

C33H46FN3O4Si2 — CID 175677925

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

4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one (PubChem CID 175677925) has the molecular formula C33H46FN3O4Si2 and a molecular weight of 623.92 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one
• PubChem CID: 175677925
• Molecular Formula: C33H46FN3O4Si2
• Molecular Weight: 623.92 g/mol
• Exact Mass: 623.30
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one
• SMILES: 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/C33H46FN3O4Si2/c1-10-33(23-39-43(32(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25)28(41-42(8,9)31(2,3)4)27(34)29(40-33)37-22-21-26(35)36-30(37)38/h10-22,27-29H,1,23H2,2-9H3,(H2,35,36,38)/t27-,28+,29-,33-/m1/s1
• InChIKey: HCRKVKPTZJAWCZ-VGBJTSDXSA-N
• XLogP: 5.58
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.92
LogP ≤ 5	5.58
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)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one (CID 175677925) is 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one.

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

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one is 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)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one?

The InChIKey is HCRKVKPTZJAWCZ-VGBJTSDXSA-N. The full InChI is InChI=1S/C33H46FN3O4Si2/c1-10-33(23-39-43(32(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25)28(41-42(8,9)31(2,3)4)27(34)29(40-33)37-22-21-26(35)36-30(37)38/h10-22,27-29H,1,23H2,2-9H3,(H2,35,36,38)/t27-,28+,29-,33-/m1/s1.

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

4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one has a molecular weight of 623.92 g/mol, XLogP of 5.58, 9 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)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-3-fluorooxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 175677925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).