1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione

C37H43FN2O6Si — CID 175677882

About 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 175677882) has the molecular formula C37H43FN2O6Si and a molecular weight of 658.84 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 175677882
• Molecular Formula: C37H43FN2O6Si
• Molecular Weight: 658.84 g/mol
• Exact Mass: 658.29
• IUPAC Name: 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
• SMILES: C=C[C@]1(CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1
• InChI: InChI=1S/C37H43FN2O6Si/c1-8-36(25-44-47(6,7)35(2,3)4)32(31(38)33(46-36)40-24-23-30(41)39-34(40)42)45-37(26-15-11-9-12-16-26,27-17-13-10-14-18-27)28-19-21-29(43-5)22-20-28/h8-24,31-33H,1,25H2,2-7H3,(H,39,41,42)/t31-,32+,33-,36-/m1/s1
• InChIKey: NDXKFELYFLNWIF-BJGHAWMQSA-N
• XLogP: 6.74
• TPSA: 91.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.84
LogP ≤ 5	6.74
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione (CID 175677882) is 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione is C=C[C@]1(CO[Si](C)(C)C(C)(C)C)O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](F)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1.

What is the InChIKey of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is NDXKFELYFLNWIF-BJGHAWMQSA-N. The full InChI is InChI=1S/C37H43FN2O6Si/c1-8-36(25-44-47(6,7)35(2,3)4)32(31(38)33(46-36)40-24-23-30(41)39-34(40)42)45-37(26-15-11-9-12-16-26,27-17-13-10-14-18-27)28-19-21-29(43-5)22-20-28/h8-24,31-33H,1,25H2,2-7H3,(H,39,41,42)/t31-,32+,33-,36-/m1/s1.

What are the key properties of 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione?

1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 658.84 g/mol, XLogP of 6.74, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 175677882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).