(2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide

C48H55NO4Si — CID 15948544

About (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide

(2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide (PubChem CID 15948544) has the molecular formula C48H55NO4Si and a molecular weight of 738.06 g/mol. Its IUPAC name is (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide.

Molecular Properties

• Compound Name: (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide
• PubChem CID: 15948544
• Molecular Formula: C48H55NO4Si
• Molecular Weight: 738.06 g/mol
• Exact Mass: 737.39
• IUPAC Name: (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide
• SMILES: C/C1=C\CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](C(=O)N(C)C)C1
• InChI: InChI=1S/C48H55NO4Si/c1-37-23-22-34-43(53-48(38-24-12-7-13-25-38,39-26-14-8-15-27-39)40-28-16-9-17-29-40)45(52-44(35-37)46(50)49(5)6)36-51-54(47(2,3)4,41-30-18-10-19-31-41)42-32-20-11-21-33-42/h7-21,23-33,43-45H,22,34-36H2,1-6H3/b37-23+/t43-,44-,45-/m1/s1
• InChIKey: KFONGZWAQXVQGI-YLAKQDEYSA-N
• XLogP: 8.91
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.06
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide?

The IUPAC name of (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide (CID 15948544) is (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide.

What is the SMILES notation for (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide?

The canonical SMILES for (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide is C/C1=C\CC[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](C(=O)N(C)C)C1.

What is the InChIKey of (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide?

The InChIKey is KFONGZWAQXVQGI-YLAKQDEYSA-N. The full InChI is InChI=1S/C48H55NO4Si/c1-37-23-22-34-43(53-48(38-24-12-7-13-25-38,39-26-14-8-15-27-39)40-28-16-9-17-29-40)45(52-44(35-37)46(50)49(5)6)36-51-54(47(2,3)4,41-30-18-10-19-31-41)42-32-20-11-21-33-42/h7-21,23-33,43-45H,22,34-36H2,1-6H3/b37-23+/t43-,44-,45-/m1/s1.

What are the key properties of (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide?

(2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide has a molecular weight of 738.06 g/mol, XLogP of 8.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,6E,9R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,N,7-trimethyl-3-trityloxy-2,3,4,5,8,9-hexahydrooxonine-9-carboxamide is sourced from PubChem (CID 15948544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).