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

C32H43NO9Si — CID 134877628

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

ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate (PubChem CID 134877628) has the molecular formula C32H43NO9Si and a molecular weight of 613.78 g/mol. Its IUPAC name is ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate
• PubChem CID: 134877628
• Molecular Formula: C32H43NO9Si
• Molecular Weight: 613.78 g/mol
• Exact Mass: 613.27
• IUPAC Name: ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate
• SMILES: CCOC(=O)[C@H]1CC(OC(C)=O)ON1[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
• InChI: InChI=1S/C32H43NO9Si/c1-8-36-30(35)24-19-26(38-21(2)34)42-33(24)29-28-27(40-32(6,7)41-28)25(39-29)20-37-43(31(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-29H,8,19-20H2,1-7H3/t24-,25-,26?,27-,28-,29+/m1/s1
• InChIKey: XSOOMJQEIYAVRP-ISISLCSOSA-N
• XLogP: 3.27
• TPSA: 101.99 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.78
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate?

The IUPAC name of ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate (CID 134877628) is ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate.

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

The canonical SMILES for ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1CC(OC(C)=O)ON1[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.

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

The InChIKey is XSOOMJQEIYAVRP-ISISLCSOSA-N. The full InChI is InChI=1S/C32H43NO9Si/c1-8-36-30(35)24-19-26(38-21(2)34)42-33(24)29-28-27(40-32(6,7)41-28)25(39-29)20-37-43(31(3,4)5,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h9-18,24-29H,8,19-20H2,1-7H3/t24-,25-,26?,27-,28-,29+/m1/s1.

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

ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate has a molecular weight of 613.78 g/mol, XLogP of 3.27, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-2-[(3aR,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-acetyloxy-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 134877628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).