[(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate

C29H39NO7Si — CID 101046337

About [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate

[(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate (PubChem CID 101046337) has the molecular formula C29H39NO7Si and a molecular weight of 541.72 g/mol. Its IUPAC name is [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

• Compound Name: [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
• PubChem CID: 101046337
• Molecular Formula: C29H39NO7Si
• Molecular Weight: 541.72 g/mol
• Exact Mass: 541.25
• IUPAC Name: [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate
• SMILES: CC(=O)O[C@@H]1CCN([C@@H]2OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)O1
• InChI: InChI=1S/C29H39NO7Si/c1-20(31)33-24-17-18-30(37-24)27-26-25(35-29(5,6)36-26)23(34-27)19-32-38(28(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17-19H2,1-6H3/t23?,24-,25+,26+,27+/m0/s1
• InChIKey: KUPMVOBWKZSJAV-WRNULMNLSA-N
• XLogP: 3.33
• TPSA: 75.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.72
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
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 [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?

The IUPAC name of [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate (CID 101046337) is [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate.

What is the SMILES notation for [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?

The canonical SMILES for [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate is CC(=O)O[C@@H]1CCN([C@@H]2OC(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)O1.

What is the InChIKey of [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?

The InChIKey is KUPMVOBWKZSJAV-WRNULMNLSA-N. The full InChI is InChI=1S/C29H39NO7Si/c1-20(31)33-24-17-18-30(37-24)27-26-25(35-29(5,6)36-26)23(34-27)19-32-38(28(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23-27H,17-19H2,1-6H3/t23?,24-,25+,26+,27+/m0/s1.

What are the key properties of [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate?

[(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate has a molecular weight of 541.72 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-2-[(3aR,4R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 101046337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).