1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

C24H44N2O6Si2 — CID 67457364

About 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 67457364) has the molecular formula C24H44N2O6Si2 and a molecular weight of 512.80 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 67457364
• Molecular Formula: C24H44N2O6Si2
• Molecular Weight: 512.80 g/mol
• Exact Mass: 512.27
• IUPAC Name: 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-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](OC)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H44N2O6Si2/c1-13-24(16-30-33(9,10)22(2,3)4)19(32-34(11,12)23(5,6)7)18(29-8)20(31-24)26-15-14-17(27)25-21(26)28/h13-15,18-20H,1,16H2,2-12H3,(H,25,27,28)/t18-,19+,20-,24-/m1/s1
• InChIKey: KPUSUYRGMDLVEA-ZBNTXBBCSA-N
• XLogP: 4.42
• TPSA: 91.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.80
LogP ≤ 5	4.42
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 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 67457364) is 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

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

The canonical SMILES for 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-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](OC)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?

The InChIKey is KPUSUYRGMDLVEA-ZBNTXBBCSA-N. The full InChI is InChI=1S/C24H44N2O6Si2/c1-13-24(16-30-33(9,10)22(2,3)4)19(32-34(11,12)23(5,6)7)18(29-8)20(31-24)26-15-14-17(27)25-21(26)28/h13-15,18-20H,1,16H2,2-12H3,(H,25,27,28)/t18-,19+,20-,24-/m1/s1.

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

1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 512.80 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 67457364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).