1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C34H37FN2O4Si — CID 10817125

About 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 10817125) has the molecular formula C34H37FN2O4Si and a molecular weight of 584.76 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 10817125
• Molecular Formula: C34H37FN2O4Si
• Molecular Weight: 584.76 g/mol
• Exact Mass: 584.25
• IUPAC Name: 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: Cc1cn([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](/C=C/c3ccccc3)[C@H]2F)c(=O)[nH]c1=O
• InChI: InChI=1S/C34H37FN2O4Si/c1-24-22-37(33(39)36-31(24)38)32-30(35)28(21-20-25-14-8-5-9-15-25)29(41-32)23-40-42(34(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,28-30,32H,23H2,1-4H3,(H,36,38,39)/b21-20+/t28-,29-,30-,32-/m1/s1
• InChIKey: WRYPUKTZDVRKOM-VPQCHERKSA-N
• XLogP: 4.99
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.76
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 10817125) is 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](/C=C/c3ccccc3)[C@H]2F)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is WRYPUKTZDVRKOM-VPQCHERKSA-N. The full InChI is InChI=1S/C34H37FN2O4Si/c1-24-22-37(33(39)36-31(24)38)32-30(35)28(21-20-25-14-8-5-9-15-25)29(41-32)23-40-42(34(2,3)4,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-22,28-30,32H,23H2,1-4H3,(H,36,38,39)/b21-20+/t28-,29-,30-,32-/m1/s1.

What are the key properties of 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 584.76 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-[(E)-2-phenylethenyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10817125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).