tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate

C27H49F2N3O6Si2 — CID 11376958

About tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 11376958) has the molecular formula C27H49F2N3O6Si2 and a molecular weight of 605.87 g/mol. Its IUPAC name is tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
• PubChem CID: 11376958
• Molecular Formula: C27H49F2N3O6Si2
• Molecular Weight: 605.87 g/mol
• Exact Mass: 605.31
• IUPAC Name: tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C(F)F)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1n1ccc(=O)[nH]c1=O
• InChI: InChI=1S/C27H49F2N3O6Si2/c1-25(2,3)37-24(35)32-17(16-36-39(10,11)26(4,5)6)19(21(28)29)20(38-40(12,13)27(7,8)9)22(32)31-15-14-18(33)30-23(31)34/h14-15,17,19-22H,16H2,1-13H3,(H,30,33,34)/t17-,19-,20-,22+/m1/s1
• InChIKey: OFSJTAJPTVLMJM-RQGSJKACSA-N
• XLogP: 5.95
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.87
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate (CID 11376958) is tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C(F)F)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1n1ccc(=O)[nH]c1=O.

What is the InChIKey of tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?

The InChIKey is OFSJTAJPTVLMJM-RQGSJKACSA-N. The full InChI is InChI=1S/C27H49F2N3O6Si2/c1-25(2,3)37-24(35)32-17(16-36-39(10,11)26(4,5)6)19(21(28)29)20(38-40(12,13)27(7,8)9)22(32)31-15-14-18(33)30-23(31)34/h14-15,17,19-22H,16H2,1-13H3,(H,30,33,34)/t17-,19-,20-,22+/m1/s1.

What are the key properties of tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate?

tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 605.87 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11376958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).