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

C27H44N2O5SeSi2 — CID 11028465

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

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 11028465) has the molecular formula C27H44N2O5SeSi2 and a molecular weight of 611.79 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione
• PubChem CID: 11028465
• Molecular Formula: C27H44N2O5SeSi2
• Molecular Weight: 611.79 g/mol
• Exact Mass: 612.20
• IUPAC Name: 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]([Se]c2ccccc2)(n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H44N2O5SeSi2/c1-25(2,3)36(7,8)32-19-22-21(34-37(9,10)26(4,5)6)18-27(33-22,35-20-14-12-11-13-15-20)29-17-16-23(30)28-24(29)31/h11-17,21-22H,18-19H2,1-10H3,(H,28,30,31)/t21-,22+,27+/m0/s1
• InChIKey: XZLWTEOLGBQCAS-OREGWCPLSA-N
• XLogP: 4.38
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione (CID 11028465) is 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione.

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

The canonical SMILES for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]([Se]c2ccccc2)(n2ccc(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is XZLWTEOLGBQCAS-OREGWCPLSA-N. The full InChI is InChI=1S/C27H44N2O5SeSi2/c1-25(2,3)36(7,8)32-19-22-21(34-37(9,10)26(4,5)6)18-27(33-22,35-20-14-12-11-13-15-20)29-17-16-23(30)28-24(29)31/h11-17,21-22H,18-19H2,1-10H3,(H,28,30,31)/t21-,22+,27+/m0/s1.

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

1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 611.79 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 11028465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).