[2-[(3aS,4R,6R,6aS)-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]methanol

C28H39NO6Si — CID 16664973

About [2-[(3aS,4R,6R,6aS)-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]methanol

[2-[(3aS,4R,6R,6aS)-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]methanol (PubChem CID 16664973) has the molecular formula C28H39NO6Si and a molecular weight of 513.71 g/mol. Its IUPAC name is [2-[(3aS,4R,6R,6aS)-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]methanol.

Molecular Properties

• Compound Name: [2-[(3aS,4R,6R,6aS)-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]methanol
• PubChem CID: 16664973
• Molecular Formula: C28H39NO6Si
• Molecular Weight: 513.71 g/mol
• Exact Mass: 513.25
• IUPAC Name: [2-[(3aS,4R,6R,6aS)-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]methanol
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@H](N1CCC(CO)O1)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H39NO6Si/c1-27(2,3)36(21-12-8-6-9-13-21,22-14-10-7-11-15-22)31-19-23-24-25(34-28(4,5)33-24)26(32-23)29-17-16-20(18-30)35-29/h6-15,20,23-26,30H,16-19H2,1-5H3/t20?,23-,24+,25+,26-/m1/s1
• InChIKey: QTDGAQNNAJLCGQ-TZDWDRONSA-N
• XLogP: 2.81
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.71
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[(3aS,4R,6R,6aS)-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]methanol?

The IUPAC name of [2-[(3aS,4R,6R,6aS)-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]methanol (CID 16664973) is [2-[(3aS,4R,6R,6aS)-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]methanol.

What is the SMILES notation for [2-[(3aS,4R,6R,6aS)-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]methanol?

The canonical SMILES for [2-[(3aS,4R,6R,6aS)-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]methanol is CC1(C)O[C@@H]2[C@H](O1)[C@H](N1CCC(CO)O1)O[C@@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [2-[(3aS,4R,6R,6aS)-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]methanol?

The InChIKey is QTDGAQNNAJLCGQ-TZDWDRONSA-N. The full InChI is InChI=1S/C28H39NO6Si/c1-27(2,3)36(21-12-8-6-9-13-21,22-14-10-7-11-15-22)31-19-23-24-25(34-28(4,5)33-24)26(32-23)29-17-16-20(18-30)35-29/h6-15,20,23-26,30H,16-19H2,1-5H3/t20?,23-,24+,25+,26-/m1/s1.

What are the key properties of [2-[(3aS,4R,6R,6aS)-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]methanol?

[2-[(3aS,4R,6R,6aS)-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]methanol has a molecular weight of 513.71 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3aS,4R,6R,6aS)-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]methanol is sourced from PubChem (CID 16664973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).