[(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate

C46H48Cl3NO11Si — CID 11228407

About [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate

[(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate (PubChem CID 11228407) has the molecular formula C46H48Cl3NO11Si and a molecular weight of 925.33 g/mol. Its IUPAC name is [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate
• PubChem CID: 11228407
• Molecular Formula: C46H48Cl3NO11Si
• Molecular Weight: 925.33 g/mol
• Exact Mass: 923.21
• IUPAC Name: [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate
• SMILES: [H]/N=C(/OC1O[C@H](COC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](OC(=O)CCC(C)=O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O)C(Cl)(Cl)Cl
• InChI: InChI=1S/C46H48Cl3NO11Si/c1-28(51)24-25-38(53)59-39-37(27-56-44(54)55-26-36-34-22-14-12-20-32(34)33-21-13-15-23-35(33)36)58-42(60-43(50)46(47,48)49)41(57-29(2)52)40(39)61-62(45(3,4)5,30-16-8-6-9-17-30)31-18-10-7-11-19-31/h6-23,36-37,39-42,50H,24-27H2,1-5H3/b50-43+/t37-,39-,40+,41+,42?/m1/s1
• InChIKey: LVDSAFMJUJWIPS-PTOWNHQZSA-N
• XLogP: 8.20
• TPSA: 156.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.33
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate?

The IUPAC name of [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate (CID 11228407) is [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate.

What is the SMILES notation for [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate?

The canonical SMILES for [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate is [H]/N=C(/OC1O[C@H](COC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](OC(=O)CCC(C)=O)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC(C)=O)C(Cl)(Cl)Cl.

What is the InChIKey of [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate?

The InChIKey is LVDSAFMJUJWIPS-PTOWNHQZSA-N. The full InChI is InChI=1S/C46H48Cl3NO11Si/c1-28(51)24-25-38(53)59-39-37(27-56-44(54)55-26-36-34-22-14-12-20-32(34)33-21-13-15-23-35(33)36)58-42(60-43(50)46(47,48)49)41(57-29(2)52)40(39)61-62(45(3,4)5,30-16-8-6-9-17-30)31-18-10-7-11-19-31/h6-23,36-37,39-42,50H,24-27H2,1-5H3/b50-43+/t37-,39-,40+,41+,42?/m1/s1.

What are the key properties of [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate?

[(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate has a molecular weight of 925.33 g/mol, XLogP of 8.20, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S)-5-acetyloxy-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 11228407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).