ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate

C29H37N3O6Si — CID 23247083

About ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate

ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate (PubChem CID 23247083) has the molecular formula C29H37N3O6Si and a molecular weight of 551.72 g/mol. Its IUPAC name is ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate
• PubChem CID: 23247083
• Molecular Formula: C29H37N3O6Si
• Molecular Weight: 551.72 g/mol
• Exact Mass: 551.25
• IUPAC Name: ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate
• SMILES: CCOC(=O)[C@@]1(n2cc(C)c(=O)[nH]c2=O)C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)O1
• InChI: InChI=1S/C29H37N3O6Si/c1-7-36-26(34)29(32-19-21(2)25(33)30-27(32)35)18-22(31(6)38-29)20-37-39(28(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,19,22H,7,18,20H2,1-6H3,(H,30,33,35)/t22-,29-/m1/s1
• InChIKey: JTSGKMHQNTYUAI-KPURRNSFSA-N
• XLogP: 2.27
• TPSA: 102.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.72
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate?

The IUPAC name of ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate (CID 23247083) is ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate.

What is the SMILES notation for ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate?

The canonical SMILES for ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate is CCOC(=O)[C@@]1(n2cc(C)c(=O)[nH]c2=O)C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)O1.

What is the InChIKey of ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate?

The InChIKey is JTSGKMHQNTYUAI-KPURRNSFSA-N. The full InChI is InChI=1S/C29H37N3O6Si/c1-7-36-26(34)29(32-19-21(2)25(33)30-27(32)35)18-22(31(6)38-29)20-37-39(28(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,19,22H,7,18,20H2,1-6H3,(H,30,33,35)/t22-,29-/m1/s1.

What are the key properties of ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate?

ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 551.72 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 23247083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).